1-Methyl-3-phenyl-1H-pyrazol-5-amine

HCID 517779

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Basic information

CAS: 10199-50-5
Standard SMILES: Cn1nc(-c2ccccc2)cc1N
InChIKey: KCYRMURRLLYLPU-UHFFFAOYSA-N
Molecular formula: C10H11N3
Average molar mass: 173.21 g/mol
Monoisotopic mass: 173.09529735

Overview

1-methyl-3-phenyl-1H-pyrazol-5-amine is a member of pyrazoles and a ring assembly.

Names & identifiers

Preferred name: 1-Methyl-3-phenyl-1H-pyrazol-5-amine
IUPAC: 1-methyl-3-phenylpyrazol-5-amine
English name: 5-AMINO-1-METHYL-3-PHENYLPYRAZOLE
Molecular formula: C10H11N3
Molecular weight: 173.21

Names & synonyms

1-Methyl-3-phenyl-1H-pyrazol-5-amine10199-50-5DTXSID30333717RefChem:434243DTXCID40284807673-124-1InChI=1/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H5-Amino-1-methyl-3-phenylpyrazole2-methyl-5-phenylpyrazol-3-amine1H-Pyrazol-5-amine, 1-methyl-3-phenyl-MFCD000678742-Methyl-5-Phenyl-Pyrazol-3-Amine

Show more names

BUTTPARK 30\09-85TIMTEC-BB SBB0055072-methyl-5-phenyl-3-pyrazolamine5-Amino-1-menthyl-3-phenylpyrazole

CHEMBL40840291-methyl-3-phenyl-5-pyrazolamine2-methyl-5-phenyl-2h-pyrazol-3-ylamine1-methyl-3-phenylpyrazole-5-ylamine5-amino-1-methyl-3-phenyl-1h-pyrazoleVITAS-BB TBB000664(2-Methyl-5-phenyl-2H-pyrazol-3-yl)amine; 1-Methyl-3-phenyl-5-aminopyrazole; 2-Methyl-5-phenylpyrazol-3-amine; 3-Amino-2-methyl-5-phenyl-2H-pyrazole; 3-Phenyl-1-methyl-1H-pyrazol-5-amine; 5-Amino-1-methyl-3-phenylpyrazoleMaybridge1_004465

Database identifiers

CAS: 10199-50-5
PubChem CID: 517779
DTXSID: DTXSID30333717
ChEMBL: CHEMBL4084029
ChEBI: CHEBI:183500
EC Number: 673-124-1
Nikkaji: J764.555D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 125 · 125-128°C
Boiling point: 368.1 · 368.1±30.0 °C(Predicted)
Density: 1.17 · 1.17±0.1 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 3 · 3+-.0.10(Predicted)
form: Solid
color: Off-White
BRN: 743807 · 743807
CAS DataBase Reference: 10199 · 10199-50-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.