rel-(5R,7S)-N-(2,3-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(2,3-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(2,3-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | K610-0435 |
| Compound Name: | rel-(5R,7S)-N-(2,3-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 469.29 |
| Molecular Formula: | C21 H17 Cl2 F3 N4 O |
| Smiles: | Cc1ccc(cc1)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2cccc(c2[Cl])[Cl])=O)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.9853 |
| logD: | 5.9359 |
| logSw: | -6.2278 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.907 |
| InChI Key: | PDUQDDAYKVGRPC-IAGOWNOFSA-N |