3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-(o-tolylmethyl)pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 3,5-dimethyl-1-(2-methylbenzyl)pyrazole-4-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-9-6-4-5-7-12(9)8-16-11(3)13(14(17)18)10(2)15-16/h4-7H,8H2,1-3H3,(H,17,18)