3-phenyl-5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 3-phenyl-5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-phenyl-5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-phenyl-5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-phenyl-5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-phenyl-5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C16H14F3N3O MolecularWeight: 321.29707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N2C(=N1)C(=C(N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N2C(=N1)C(=C(N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C16H14F3N3O/c1-2-6-11-9-12(23)22-15(20-11)13(10-7-4-3-5-8-10)14(21-22)16(17,18)19/h3-5,7-9,21H,2,6H2,1H3