1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-(4-isobutylphenyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-3-[4-(2-methylpropyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-(4-isobutylphenyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C

InChI

InChI=1S/C15H18N2O2/c1-10(2)8-11-4-6-12(7-5-11)14-13(15(18)19)9-17(3)16-14/h4-7,9-10H,8H2,1-3H3,(H,18,19)