4-(4-bromophenyl)-1H-pyrazol-3-amine

4-(4-bromophenyl)-1H-pyrazol-3-amine

CAS: 40545-64-0

Formula: C9H8BrN3

SMILES: NC1=NNC=C1C1=CC=C(Br)C=C1

IUPAC: 4-(4-bromophenyl)-1H-pyrazol-3-amine

InChI: InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)

Composition: C (45.40%), H (3.39%), Br (33.56%), N (17.65%)

Molar Mass: 238.088

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.99016
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ABKUXQSVMWMABM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.52
Topological Polar Surface Area	54.7
Polarizability	21.92
Ring Count	2
Rotatable Bond Count	1

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