4-(1H-pyrazol-3-yl)benzonitrile

4-(1H-pyrazol-3-yl)benzonitrile

CAS: 474706-35-9

Formula: C10H7N3

SMILES: N#CC1=CC=C(C=C1)C1=NNC=C1

IUPAC: 4-(1H-pyrazol-3-yl)benzonitrile

InChI: InChI=1S/C10H7N3/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H,(H,12,13)

Composition: C (70.99%), H (4.17%), N (24.84%)

Molar Mass: 169.187

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	169.063997237
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KBVIWLGAVURNLR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.23
Topological Polar Surface Area	52.47
Polarizability	19.95
Ring Count	2
Rotatable Bond Count	1

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