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

HCID 684746

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Basic information

CAS: 3528-41-4
Standard SMILES: Nc1cc(-c2ccccc2)nn1Cc1ccccc1
InChIKey: XMEAHPOVYFOANY-UHFFFAOYSA-N
Molecular formula: C16H15N3
Average molar mass: 249.31 g/mol
Monoisotopic mass: 249.12659748

Names & identifiers

Preferred name: 1-benzyl-3-phenyl-1H-pyrazol-5-amine
IUPAC: 1-benzyl-3-phenylpyrazol-5-amine
English name: 1-Benzyl-3-phenyl-1H-pyrazol-5-amine
Molecular formula: C16H15N3
Molecular weight: 249.31

Names & synonyms

1-benzyl-3-phenyl-1H-pyrazol-5-amineRefChem:429886824-543-53528-41-42-benzyl-5-phenylpyrazol-3-amine2-Benzyl-5-phenyl-2H-pyrazol-3-ylamineMFCD005027461H-Pyrazol-5-amine, 3-phenyl-1-(phenylmethyl)-Cambridge id 6053761Oprea1_110505Oprea1_275988MLS000710975

Show more names

[2-(benzyl)-5-phenyl-pyrazol-3-yl]amine5-phenyl-2-(phenylmethyl)pyrazol-3-amine5-phenyl-2-(phenylmethyl)-3-pyrazolamine

SCHEMBL2321371CHEMBL1492964XMEAHPOVYFOANY-UHFFFAOYSA-NDTXSID101327874HMS2658J112-benzyl-5-phenyl-pyrazol-3-amineALBB-0197233-phenyl-1-benzylpyrazole-5-ylamine

Database identifiers

CAS: 3528-41-4
PubChem CID: 684746
DTXSID: DTXSID101327874
ChEMBL: CHEMBL1492964
EC Number: 824-543-5

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 269

Experimental & physicochemical properties

Solubility25.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 125 · 125-126 °C
Boiling point: 480.5 · 480.5±40.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
pka: 3.4 · 3.40±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H302-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H302-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362