rel-(5R,7S)-N-(5-chloro-2-methylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(5-chloro-2-methylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(5-chloro-2-methylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | K610-0401 |
| Compound Name: | rel-(5R,7S)-N-(5-chloro-2-methylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 494.9 |
| Molecular Formula: | C23 H22 Cl F3 N4 O3 |
| Smiles: | Cc1ccc(cc1NC(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccc(c(c1)OC)OC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5975 |
| logD: | 4.5963 |
| logSw: | -4.8405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.168 |
| InChI Key: | VTIUVTXDRXNITF-YLJYHZDGSA-N |