1-methyl-3-trifluoromethyl-2-pyrazolin-5-one
1-methyl-3-trifluoromethyl-2-pyrazolin-5-one structure
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Common Name | 1-methyl-3-trifluoromethyl-2-pyrazolin-5-one | ||
|---|---|---|---|---|
| CAS Number | 1481-02-3 | Molecular Weight | 166.10100 | |
| Density | 1.5 g/cm3 | Boiling Point | 101.6ºC at 760 mmHg | |
| Molecular Formula | C5H5F3N2O | Melting Point | 178 °C | |
| MSDS | USA | Flash Point | 15.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one |
|---|---|
| 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 | 1.5 g/cm3 |
|---|---|
| Boiling Point | 101.6ºC at 760 mmHg |
| Melting Point | 178 °C |
| Molecular Formula | C5H5F3N2O |
| Molecular Weight | 166.10100 |
| Flash Point | 15.3ºC |
| Exact Mass | 166.03500 |
| PSA | 32.67000 |
| LogP | 0.14030 |
| Vapour Pressure | 0.029mmHg at 25°C |
| Index of Refraction | 1.53 |
| InChIKey | SYHYFYSGUQRNRS-UHFFFAOYSA-N |
| SMILES | CN1N=C(C(F)(F)F)CC1=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | 25 |
| Safety Phrases | S22-S24/25 |
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-methyl-3-trif... CAS#:1481-02-3 |
| Literature: Australian Journal of Chemistry, , vol. 63, # 5 p. 785 - 791 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 3 | |
CAS#:128564-57-8
CAS#:128455-62-9
CAS#:128455-63-0This 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: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-methyl-3-trifluoromethyl-4H-pyrazol-5-one |
| MFCD00051654 |
| 1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE |
| 2-methyl-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: Boiling point of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is 101.6ºC at 760 mmHg. |
| Q: What is the melting point of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: Melting point of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is 178 °C. |
| Q: What is the polar surface area (PSA) of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: Polar surface area (PSA) of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is 32.67000. |
| Q: What is the molecular formula of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: Molecular formula of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is C5H5F3N2O. |
| Q: What English synonyms does 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one have? |
| A: English synonyms of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one: 1-methyl-3-trifluoromethyl-4H-pyrazol-5-one, MFCD00051654, 1-METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE, 2-methyl-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one. |
| Q: What is the safety information for 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: Safety information for 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one: S22-S24/25. |
| Q: What is the English name of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: The English name of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one. |
| Q: What is the InChIKey of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: InChIKey of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is SYHYFYSGUQRNRS-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: Molecular weight of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is 166.10100. |
| Q: What is the LogP of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one? |
| A: LogP of 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one is 0.14030. |
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. |