ethyl rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
ethyl rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
ethyl rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | 3209-0030 |
| Compound Name: | ethyl rel-(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 339.32 |
| Molecular Formula: | C16 H16 F3 N3 O2 |
| Smiles: | CCOC(c1cc2N[C@@H](C[C@H](C(F)(F)F)n2n1)c1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 3.6356 |
| logD: | 3.6356 |
| logSw: | -3.7724 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.52 |
| InChI Key: | DPXRIGGLPDJAJL-DGCLKSJQSA-N |