methyl 5-azanyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-phenyl-3-(trifluoromethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid methyl ester Formula: C12H10F3N3O2 MolecularWeight: 285.22191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC=C2)N

InChI

InChI=1S/C12H10F3N3O2/c1-20-11(19)8-9(12(13,14)15)17-18(10(8)16)7-5-3-2-4-6-7/h2-6H,16H2,1H3