2-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C17H16F3N3O MolecularWeight: 335.32365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=NC(=CC(=O)N3N2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=NC(=CC(=O)N3N2)C(F)(F)F

InChI

InChI=1S/C17H16F3N3O/c1-16(2,3)11-6-4-10(5-7-11)12-8-14-21-13(17(18,19)20)9-15(24)23(14)22-12/h4-9,22H,1-3H3