1- (1-Phenylethyl) -1H-pyrazol-4-amine

CAT: 0926-QZB57259-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-QZB57259-01Size:100 mg

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CAS Number

1240572-59-1

MDL Number

MFCD16810897

Smiles

CC (C1=CC=CC=C1) N2C=C (C=N2) N

Molecular Formula

C11H13N3

Molecular Weight

187.24 g/mol

Controlled

Chemical Information

1-(1-Phenylethyl)-1H-pyrazol-4-amine

CAS Number	1240572-59-1
PubChem CID	50999885
IUPAC Name	1-(1-phenylethyl)pyrazol-4-amine
Molecular Formula	C11H13N3
Molecular Weight	187.24
XLogP	1.5
Topological Polar Surface Area	43.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	177

SMILES

CC(C1=CC=CC=C1)N2C=C(C=N2)N

InChI

InChI=1S/C11H13N3/c1-9(10-5-3-2-4-6-10)14-8-11(12)7-13-14/h2-9H,12H2,1H3

InChIKey

JFGCAKGDLZOKNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1240572-59-1

CID: 50999885

Formula: C11H13N3

MW: 187.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.24
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	187.110947427
Monoisotopic Mass	187.110947427
Topological Polar Surface Area	43.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
QZB56434-01	1- (1-Phenylethyl) -1H-pyrazol-3-amine
PDC41779-01	4-Methyl-1- (1-phenylethyl) -1H-pyrazol-3-amine
DAA52423-01	1- (2-Phenylethyl) -1H-pyrazol-5-amine
VNC74371-01	1- (2-Phenylethyl) -1H-pyrazol-4-ol
AQB89540-01	3- (2-Phenylethyl) -1H-pyrazol-5-amine
GYB64128-01	1-Methanesulfonyl-1H-pyrazol-4-amine
GTC44799-01	1- (Trifluoromethyl) -1H-pyrazol-4-amine
XEA48111-01	4-Bromo-1H-pyrazol-1-amine
BAA12853-01	1-Phenyl-1H-pyrazol-4-amine
AZB06525-01	1- (Cyclobutylmethyl) -1H-pyrazol-4-amine

Catalog	Name
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