N-(2-adamantyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-(2-adamantyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-(2-adamantyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-(2-adamantyl)-5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(2-adamantyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-(2-adamantyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C22H21F3N4OS MolecularWeight: 446.48855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=C5N=C(C=C(N5N=C4)C(F)(F)F)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=C5N=C(C=C(N5N=C4)C(F)(F)F)C6=CC=CS6

InChI

InChI=1S/C22H21F3N4OS/c23-22(24,25)18-9-16(17-2-1-3-31-17)27-20-15(10-26-29(18)20)21(30)28-19-13-5-11-4-12(7-13)8-14(19)6-11/h1-3,9-14,19H,4-8H2,(H,28,30)