3-phenyl-1H-pyrazole-4-carboxylic acid

3-phenyl-1H-pyrazole-4-carboxylic acid

CAS: 5504-65-4

Formula: C10H8N2O2

SMILES: OC(=O)C1=CNN=C1C1=CC=CC=C1

IUPAC: 3-phenyl-1H-pyrazole-4-carboxylic acid

InChI: InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)

Composition: C (63.83%), H (4.29%), N (14.89%), O (17.00%)

Molar Mass: 188.186

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	188.058577506
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LGTJKUYVFSBOMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.77
Topological Polar Surface Area	65.98
Polarizability	20.42
Ring Count	2
Rotatable Bond Count	2

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