rel-(5R,7S)-5-(furan-2-yl)-N-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-5-(furan-2-yl)-N-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-5-(furan-2-yl)-N-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | 6466-0999 |
Compound Name: | rel-(5R,7S)-5-(furan-2-yl)-N-[(4-methylphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 404.39 |
Molecular Formula: | C20 H19 F3 N4 O2 |
Smiles: | Cc1ccc(CNC(c2cc3N[C@H](C[C@@H](C(F)(F)F)n3n2)c2ccco2)=O)cc1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 3.847 |
logD: | 3.847 |
logSw: | -3.849 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.758 |
InChI Key: | IPLMLJAAINZKEL-RHSMWYFYSA-N |