rel-(5R,7S)-3-chloro-N-(2-phenylethyl)-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-phenylethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-(2-phenylethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0615 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-(2-phenylethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 454.9 |
| Molecular Formula: | C20 H18 Cl F3 N4 O S |
| Smiles: | C(CNC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1451 |
| logD: | 4.1451 |
| logSw: | -4.6535 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.334 |
| InChI Key: | VNVHFKMDPUOJAN-UKRRQHHQSA-N |