3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(2,5-dimethylphenyl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(2,5-dimethylphenyl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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