5-(2-methylpropyl)-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-methylpropyl)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 5-isobutyl-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 5-(2-methylpropyl)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-methylpropyl)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 5-isobutyl-1-phenyl-pyrazole-3-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC1=CC(=NN1C2=CC=CC=C2)C(=O)O

InChI

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