5-methyl-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-methyl-pyrazole-4-carboxylic acid CAS Name: 5-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-methyl-pyrazole-4-carboxylic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=NN1CC2=CC=CC=C2)C(=O)O

InChI

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