3-[3,4-bis(fluoranyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(3,4-difluorophenyl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(3,4-difluorophenyl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(3,4-difluorophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(3,4-difluorophenyl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C14H14F2N2O2 MolecularWeight: 280.269966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F2N2O2/c1-8(2)6-18-7-10(14(19)20)13(17-18)9-3-4-11(15)12(16)5-9/h3-5,7-8H,6H2,1-2H3,(H,19,20)