1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C13H8F6N2O2 MolecularWeight: 338.205239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F6N2O2/c1-6-2-10(11(22)23)20-21(6)9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h2-5H,1H3,(H,22,23)