methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid methyl ester Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OC

InChI

InChI=1S/C12H12N2O2/c1-8-3-5-9(6-4-8)10-7-11(14-13-10)12(15)16-2/h3-7H,1-2H3,(H,13,14)