N-benzyl-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-benzyl-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
N-benzyl-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8016-7912 |
| Compound Name: | N-benzyl-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 353.17 |
| Molecular Formula: | C13 H13 Br N4 O3 |
| Smiles: | Cc1c(c(nn1CC(NCc1ccccc1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.7852 |
| logD: | 1.7852 |
| logSw: | -2.2779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.729 |
| InChI Key: | KEPWTACDOKCAQK-UHFFFAOYSA-N |