5-azanyl-1-(2-cyanoethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(2-cyanoethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-amino-1-(2-cyanoethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-amino-1-(2-cyanoethyl)-N-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-amino-1-(2-cyanoethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-amino-1-(2-cyanoethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C14H12F3N5O MolecularWeight: 323.27319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)CCC#N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)CCC#N)N)C(F)(F)F

InChI

InChI=1S/C14H12F3N5O/c15-14(16,17)9-3-1-4-10(7-9)21-13(23)11-8-20-22(12(11)19)6-2-5-18/h1,3-4,7-8H,2,6,19H2,(H,21,23)