1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylic acid CAS Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-(trifluoromethyl)benzyl]pyrazole-4-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C12H9F3N2O2/c13-12(14,15)10-3-1-2-8(4-10)6-17-7-9(5-16-17)11(18)19/h1-5,7H,6H2,(H,18,19)