rel-(5R,7S)-3-chloro-5-(furan-2-yl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-chloro-5-(furan-2-yl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-5-(furan-2-yl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 8013-3262 |
| Compound Name: | rel-(5R,7S)-3-chloro-5-(furan-2-yl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 508.81 |
| Molecular Formula: | C20 H15 Cl F6 N4 O3 |
| Smiles: | CN(C(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1ccco1)[Cl])=O)c1ccc(cc1)OC(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9668 |
| logD: | 4.9668 |
| logSw: | -5.0239 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.945 |
| InChI Key: | NHARYERCYQKRNO-TZMCWYRMSA-N |