rel-(5R,7S)-3-chloro-N-(2,4-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-chloro-N-(2,4-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-(2,4-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0628 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-(2,4-difluorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 462.83 |
| Molecular Formula: | C18 H12 Cl F5 N4 O S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3ccc(cc3F)F)=O)n2)[Cl])N[C@H]1c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7344 |
| logD: | 4.638 |
| logSw: | -5.0942 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.472 |
| InChI Key: | KWZCPGWRNISNHQ-DGCLKSJQSA-N |