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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN5C(=CC(=NC5=C4)C6=CC=CS6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN5C(=CC(=NC5=C4)C6=CC=CS6)C(F)(F)F

InChI

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