5-(2H-1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)-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-(3,5-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K610-0325 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 499.27 |
| Molecular Formula: | C21 H15 Cl2 F3 N4 O3 |
| Smiles: | C1C(c2ccc3c(c2)OCO3)Nc2cc(C(Nc3cc(cc(c3)[Cl])[Cl])=O)nn2C1C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.9638 |
| logD: | 5.9493 |
| logSw: | -6.4967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.973 |
| InChI Key: | QZPJHFYCEAXUKR-UHFFFAOYSA-N |