1-benzyl-3,5-dimethyl-pyrazol-4-amine

Modify Date: 2025-09-09 10:50:54

1-benzyl-3,5-dimethyl-pyrazol-4-amine Structure
1-benzyl-3,5-dimethyl-pyrazol-4-amine structure
Common Name 1-benzyl-3,5-dimethyl-pyrazol-4-amine
CAS Number 28466-69-5 Molecular Weight 201.26800
Density 1.12g/cm3 Boiling Point 373.7ºC at 760mmHg
Molecular Formula C12H15N3 Melting Point N/A
MSDS N/A Flash Point 179.8ºC

 Names

Name 1-benzyl-3,5-dimethylpyrazol-4-amine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.12g/cm3
Boiling Point 373.7ºC at 760mmHg
Molecular Formula C12H15N3
Molecular Weight 201.26800
Flash Point 179.8ºC
Exact Mass 201.12700
PSA 43.84000
LogP 2.71160
Vapour Pressure 8.79E-06mmHg at 25°C
Index of Refraction 1.599
InChIKey VEEPGIBHWRABJA-UHFFFAOYSA-N
SMILES Cc1nn(Cc2ccccc2)c(C)c1N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ5030000
CHEMICAL NAME :
Pyrazole, 4-amino-1-benzyl-3,5-dimethyl-
CAS REGISTRY NUMBER :
28466-69-5
BEILSTEIN REFERENCE NO. :
0181057
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H15-N3
MOLECULAR WEIGHT :
201.30
WISWESSER LINE NOTATION :
T5NNJ A1R& C1 DZ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
630 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 27,295,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 25,592,1970

 Safety Information

HS Code 2933199090

 Synthetic Route

~%

1-benzyl-3,5-dimethyl-pyrazol-4-amine Structure

1-benzyl-3,5-di...

CAS#:28466-69-5

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Literature: Musante; Stener Gazzetta Chimica Italiana, 1959 , vol. 89, p. 1579,1594

~%

1-benzyl-3,5-dimethyl-pyrazol-4-amine Structure

1-benzyl-3,5-di...

CAS#:28466-69-5

Learn More
Literature: Musante; Stener Gazzetta Chimica Italiana, 1959 , vol. 89, p. 1579,1594

~%

1-benzyl-3,5-dimethyl-pyrazol-4-amine Structure

1-benzyl-3,5-di...

CAS#:28466-69-5

Learn More
Literature: Musante; Stener Gazzetta Chimica Italiana, 1959 , vol. 89, p. 1579,1594

 Customs

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%

 1-benzyl-3,5-dimethyl-pyrazol-4-amineBioassay

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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
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
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
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
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
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.
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
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
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
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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 Synonyms

Pyrazole,4-amino-1-benzyl-3,5-dimethyl
4-Amino-1-benzyl-3,5-dimethylpyrazole
3,5-dimethyl-1-benzylpyrazole-4-ylamine
1-Benzyl-3,5-dimethylpyrazol-4-ylamin
1-Benzyl-3,5-dimethyl-1H-pyrazol-4-amine
1-Benzyl-3,5-dimethyl-4-aminopyrazole
1-benzyl-3,5-dimethyl-1H-pyrazol-4-ylamine
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