3-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid

3-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS: 54952-71-5

Formula: C11H10N2O2

SMILES: CC1=NNC(=C1C(O)=O)C1=CC=CC=C1

IUPAC: 3-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid

InChI: InChI=1S/C11H10N2O2/c1-7-9(11(14)15)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)

Composition: C (65.34%), H (4.98%), N (13.85%), O (15.82%)

Molar Mass: 202.213

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	202.07422757
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HLBNXQFYFKZFOB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.61
Topological Polar Surface Area	65.98
Polarizability	22.17
Ring Count	2
Rotatable Bond Count	2

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