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

Systemtic Name: 3-chloranyl-N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-chloro-N-(3-imidazol-1-ylpropyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-chloro-N-[3-(1-imidazolyl)propyl]-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-chloro-N-(3-imidazol-1-ylpropyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-chloro-N-(3-imidazol-1-ylpropyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C18H14ClF3N6OS MolecularWeight: 454.85657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NCCCN4C=CN=C4)Cl

InChI

InChI=1S/C18H14ClF3N6OS/c19-14-15(17(29)24-4-2-6-27-7-5-23-10-27)26-28-13(18(20,21)22)9-11(25-16(14)28)12-3-1-8-30-12/h1,3,5,7-10H,2,4,6H2,(H,24,29)