rel-(5R,7S)-5-(4-bromophenyl)-N-(4-chloro-3-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-N-(4-chloro-3-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-5-(4-bromophenyl)-N-(4-chloro-3-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0989 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-N-(4-chloro-3-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 517.71 |
| Molecular Formula: | C20 H14 Br Cl F4 N4 O |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2ccc(c(c2)F)[Cl])=O)N[C@H]1c1ccc(cc1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9084 |
| logD: | 5.8677 |
| logSw: | -6.2979 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.605 |
| InChI Key: | BPDAVYFKKQSCNO-IRXDYDNUSA-N |