1-[(2-methylphenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-(o-tolylmethyl)pyrazole-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(2-methylbenzyl)pyrazole-4-carboxylic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C12H12N2O2/c1-9-4-2-3-5-10(9)7-14-8-11(6-13-14)12(15)16/h2-6,8H,7H2,1H3,(H,15,16)