rel-(5R,7S)-N-(2,4-dichlorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(2,4-dichlorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-(2,4-dichlorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0484 |
| Compound Name: | rel-(5R,7S)-N-(2,4-dichlorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 461.29 |
| Molecular Formula: | C18 H13 Cl2 F3 N4 O S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(cc(C(Nc3ccc(cc3[Cl])[Cl])=O)n2)N[C@H]1c1cccs1 |
| Stereo: | RELATIVE |
| logP: | 5.2434 |
| logD: | 5.2311 |
| logSw: | -5.7683 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.178 |
| InChI Key: | XUBBWZUGTGYVPM-IUODEOHRSA-N |