rel-(5R,7S)-N-(3-chloro-2-methylphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(3-chloro-2-methylphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-(3-chloro-2-methylphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0405 |
| Compound Name: | rel-(5R,7S)-N-(3-chloro-2-methylphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 434.85 |
| Molecular Formula: | C21 H18 Cl F3 N4 O |
| Smiles: | Cc1c(cccc1[Cl])NC(c1cc2N[C@@H](C[C@H](C(F)(F)F)n2n1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.5698 |
| logD: | 5.5695 |
| logSw: | -5.9302 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.16 |
| InChI Key: | PNCVTURHDQMKFE-FUHWJXTLSA-N |