rel-(5R,7S)-3-chloro-N-(2-hydroxy-5-methylphenyl)-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-hydroxy-5-methylphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-(2-hydroxy-5-methylphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0592 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-(2-hydroxy-5-methylphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 456.87 |
| Molecular Formula: | C19 H16 Cl F3 N4 O2 S |
| Smiles: | Cc1ccc(c(c1)NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4591 |
| logD: | 4.4572 |
| logSw: | -4.3483 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.02 |
| InChI Key: | PNULBEFRTVXPQE-BXUZGUMPSA-N |