5-(3-methoxyphenyl)-1H-pyrazole-3-carboxylic acid

5-(3-methoxyphenyl)-1H-pyrazole-3-carboxylic acid

CAS: 1147417-27-3

Formula: C11H10N2O3

SMILES: COC1=CC=CC(=C1)C1=CC(=NN1)C(O)=O

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

InChI: InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)

Composition: C (60.55%), H (4.62%), N (12.84%), O (22.00%)

Molar Mass: 218.212

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.06914219
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IEQRHIQFNLEJMF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.11
Topological Polar Surface Area	75.21
Polarizability	22.94
Ring Count	2
Rotatable Bond Count	3

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