3-[2,6-bis(fluoranyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(2,6-difluorophenyl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(2,6-difluorophenyl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(2,6-difluorophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(2,6-difluorophenyl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C14H14F2N2O2 MolecularWeight: 280.269966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=C(C=CC=C2F)F)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=C(C=CC=C2F)F)C(=O)O

InChI

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