N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D522-0004 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 313.23 |
| Molecular Formula: | C13 H10 F3 N3 O3 |
| Smiles: | [H]c1c(C(Nc2ccc3c(c2)OCO3)=O)nn(C)c1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.2691 |
| logD: | 2.269 |
| logSw: | -3.0831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.961 |
| InChI Key: | VABWMIZVXNAHEB-UHFFFAOYSA-N |