5-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

5-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

CAS: 1140528-29-5

Formula: C11H10N2O2

SMILES: CC1=C(C=CC=C1)C1=CC(=NN1)C(O)=O

IUPAC: 5-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C11H10N2O2/c1-7-4-2-3-5-8(7)9-6-10(11(14)15)13-12-9/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	BHLFDODDOGJUGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.68
Topological Polar Surface Area	65.98
Polarizability	22.18
Ring Count	2
Rotatable Bond Count	2

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