3-chloro-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 312699-22-2

Formula: C14H11ClF3N3O2

SMILES: OC(=O)C1=NN2C(CC(NC2=C1Cl)C1=CC=CC=C1)C(F)(F)F

IUPAC: 3-chloro-5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1/C14H11ClF3N3O2/c15-10-11(13(22)23)20-21-9(14(16,17)18)6-8(19-12(10)21)7-4-2-1-3-5-7/h1-5,8-9,19H,6H2,(H,22,23)

Composition: C (48.64%), H (3.21%), Cl (10.25%), F (16.49%), N (12.16%), O (9.26%)

Molar Mass: 345.71

Atom Count: 34

Heavy Atom Count: 23