rel-(5R,7S)-3-chloro-N-methyl-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-chloro-N-methyl-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-methyl-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 8013-3260 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-methyl-5-(thiophen-2-yl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 524.87 |
| Molecular Formula: | C20 H15 Cl F6 N4 O2 S |
| Smiles: | CN(C(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Cl])=O)c1ccc(cc1)OC(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3901 |
| logD: | 5.3901 |
| logSw: | -5.8185 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.385 |
| InChI Key: | KYQUDAHFYLAXLO-TZMCWYRMSA-N |