rel-(5R,7S)-N-benzyl-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-benzyl-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-benzyl-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1143 |
| Compound Name: | rel-(5R,7S)-N-benzyl-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 464.87 |
| Molecular Formula: | C22 H20 Cl F3 N4 O2 |
| Smiles: | COc1ccc(cc1)[C@@H]1C[C@H](C(F)(F)F)n2c(c(c(C(NCc3ccccc3)=O)n2)[Cl])N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6505 |
| logD: | 4.6505 |
| logSw: | -4.9683 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.018 |
| InChI Key: | SPIVNILPLWYUBP-DLBZAZTESA-N |