methyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 3-(3-pyridyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate CAS Name: 3-(3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Traditional Name: 3-(3-pyridyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C17H12F3N3O2 MolecularWeight: 347.29129

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O2/c1-25-16(24)14-10-23(22-15(14)11-4-3-7-21-9-11)13-6-2-5-12(8-13)17(18,19)20/h2-10H,1H3