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

Systemtic Name: 3-methyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-methyl-pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-methylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-methyl-pyrazole-4-carboxylic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C=C1C(=O)O)CC2=CC=CC=C2

InChI

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