5-amino-4-cyano-1-(4-fluorophenyl)pyrazole
5-amino-4-cyano-1-(4-fluorophenyl)pyrazole structure
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Common Name | 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole | ||
|---|---|---|---|---|
| CAS Number | 51516-70-2 | Molecular Weight | 202.18800 | |
| Density | 1.36g/cm3 | Boiling Point | 394.1ºC at 760 mmHg | |
| Molecular Formula | C10H7FN4 | Melting Point | 164-165°C | |
| MSDS | N/A | Flash Point | 192.1ºC | |
Summary: 5-氨基-1-(4-氟苯基)吡唑-4-甲腈 (5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile, CAS: 51516-70-2), molecular formula: C10H7FN4, molecular weight: 202.18800. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.36g/cm3 |
|---|---|
| Boiling Point | 394.1ºC at 760 mmHg |
| Melting Point | 164-165°C |
| Molecular Formula | C10H7FN4 |
| Molecular Weight | 202.18800 |
| Flash Point | 192.1ºC |
| Exact Mass | 202.06500 |
| PSA | 67.63000 |
| LogP | 2.04648 |
| Index of Refraction | 1.65 |
| InChIKey | SZEJYPAPBGNEMH-UHFFFAOYSA-N |
| SMILES | N#Cc1cnn(-c2ccc(F)cc2)c1N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | 20/21/22 |
| Safety Phrases | S22-S36/37/39 |
| RIDADR | 3439 |
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
5-amino-4-cyano... CAS#:51516-70-2 |
| Literature: Moyano, Elizabeth L.; Colomer, Juan Pablo; Yranzo, Gloria I. European Journal of Organic Chemistry, 2008 , # 19 p. 3377 - 3381 |
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~73%
5-amino-4-cyano... CAS#:51516-70-2 |
| Literature: Daniels, R. Nathan; Kim, Kwangho; Lebois, Evan P.; Muchalski, Hubert; Hughes, Mary; Lindsley, Craig W. Tetrahedron Letters, 2008 , vol. 49, # 2 p. 305 - 310 |
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~%
5-amino-4-cyano... CAS#:51516-70-2 |
| Literature: Harden; Quinn; Scammells Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2892 - 2898 |
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~%
5-amino-4-cyano... CAS#:51516-70-2 |
| Literature: Harden; Quinn; Scammells Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2892 - 2898 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 4 | |
CAS#:1015862-36-8
CAS#:1050619-83-4![7-(4-fluorophenyl)-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one structure](https://image.chemsrc.com/caspic/184/1050619-72-1.png)
CAS#:1050619-72-1
CAS#:51516-69-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole |
| 5-Amino-4-cyano-1-(4-fluorophenyl)pyrazole |
| 5-amino-1-(4-fluoro-phenyl)-1H-pyrazole-4-carbonitrile |
| MFCD00102729 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: Related downstream products(CAS) of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile: 1015862-36-8;1050619-83-4;1050619-72-1;51516-69-9. |
| Q: What is the melting point of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: Melting point of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile is 164-165°C. |
| Q: What is the polar surface area (PSA) of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: Polar surface area (PSA) of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile is 67.63000. |
| Q: What English synonyms does 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile have? |
| A: English synonyms of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile: 5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole, 5-Amino-4-cyano-1-(4-fluorophenyl)pyrazole, 5-amino-1-(4-fluoro-phenyl)-1H-pyrazole-4-carbonitrile, MFCD00102729. |
| Q: What is the molecular formula of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: Molecular formula of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile is C10H7FN4. |
| Q: What is the InChIKey of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: InChIKey of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile is SZEJYPAPBGNEMH-UHFFFAOYSA-N. |
| Q: What is the LogP of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: LogP of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile is 2.04648. |
| Q: What is the safety information for 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: Safety information for 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile: S22-S36/37/39. |
| Q: What are the upstream materials of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: Related upstream materials(CAS) of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile: 823-85-8;123-06-8;371-14-2;371-40-4;122-51-0;109-77-3. |
| Q: What is the CAS number of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile? |
| A: CAS number of 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile is 51516-70-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |