N-(2H-1,3-benzodioxol-5-yl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
Compound characteristics
| Compound ID: | Y502-0738 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide |
| Molecular Weight: | 372.26 |
| Molecular Formula: | C14 H11 F3 N4 O5 |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(Nc1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2498 |
| logD: | 2.2497 |
| logSw: | -3.0138 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.758 |
| InChI Key: | ZMFITXSFJHFNAR-UHFFFAOYSA-N |