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

Systemtic Name: methyl 4-azanyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 4-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C13H12F3N3O2 MolecularWeight: 299.24849

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)OC)N)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)OC)N)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2/c1-19-11(9(17)10(18-19)12(20)21-2)7-4-3-5-8(6-7)13(14,15)16/h3-6H,17H2,1-2H3