rel-(5R,7S)-3-chloro-N-[(4-fluorophenyl)methyl]-5-(furan-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-fluorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1096 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-[(4-fluorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 442.8 |
| Molecular Formula: | C19 H15 Cl F4 N4 O2 |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(NCc3ccc(cc3)F)=O)n2)[Cl])N[C@H]1c1ccco1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8173 |
| logD: | 3.8173 |
| logSw: | -4.4923 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.052 |
| InChI Key: | JTHZGKSHNRNWBZ-TZMCWYRMSA-N |