rel-(5R,7S)-3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0629 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 529.29 |
| Molecular Formula: | C19 H12 Cl2 F6 N4 O S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3cc(ccc3[Cl])C(F)(F)F)=O)n2)[Cl])N[C@H]1c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.0434 |
| logD: | 5.7403 |
| logSw: | -6.5745 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.472 |
| InChI Key: | VHYIGGWWSVEIHQ-DGCLKSJQSA-N |