5-(2H-1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K610-0332 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 532.83 |
| Molecular Formula: | C22 H15 Cl F6 N4 O3 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)Nc2cc(C(Nc3ccc(c(c3)C(F)(F)F)[Cl])=O)nn2C1C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.0405 |
| logD: | 6.0012 |
| logSw: | -6.3708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.973 |
| InChI Key: | OMJQIECJELSDFZ-UHFFFAOYSA-N |