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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C5N=C(C=C(N5N=C4)C(F)(F)F)C6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C5N=C(C=C(N5N=C4)C(F)(F)F)C6=CC=CS6

InChI

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