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

Systemtic Name: 1-(2-methylpropyl)-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-isobutyl-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-methylpropyl)-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-methylpropyl)-3-phenylpyrazole-4-carboxylic acid Traditional Name: 1-isobutyl-3-phenyl-pyrazole-4-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC=CC=C2)C(=O)O

InChI

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