3-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 3-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 3-methyl-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H9F3N2O2 MolecularWeight: 270.20727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C12H9F3N2O2/c1-7-9(11(18)19)10(12(13,14)15)17(16-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,18,19)