rel-(5R,7S)-3-chloro-N-(4-hydroxyphenyl)-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-(4-hydroxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-(4-hydroxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0613 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-(4-hydroxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 442.85 |
| Molecular Formula: | C18 H14 Cl F3 N4 O2 S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3ccc(cc3)O)=O)n2)[Cl])N[C@H]1c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0005 |
| logD: | 3.9997 |
| logSw: | -4.2742 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.787 |
| InChI Key: | NXWKUGIKCUDCHF-DGCLKSJQSA-N |