5-[4-(2-methylpropyl)phenyl]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-[4-(2-methylpropyl)phenyl]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-(4-isobutylphenyl)-1H-pyrazole-4-carboxylic acid CAS Name: 5-[4-(2-methylpropyl)phenyl]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[4-(2-methylpropyl)phenyl]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-(4-isobutylphenyl)-1H-pyrazole-4-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=C(C=NN2)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=C(C=NN2)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-9(2)7-10-3-5-11(6-4-10)13-12(14(17)18)8-15-16-13/h3-6,8-9H,7H2,1-2H3,(H,15,16)(H,17,18)