3-(4-ethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-ethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(4-ethylphenyl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-ethylphenyl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-ethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(4-ethylphenyl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)CC(C)C

InChI

InChI=1S/C16H20N2O2/c1-4-12-5-7-13(8-6-12)15-14(16(19)20)10-18(17-15)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,19,20)