methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 1890-0231 |
| Compound Name: | methyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | Cc1cc(nn1CC(Nc1ccccc1C(=O)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1653 |
| logD: | 1.1384 |
| logSw: | -2.5371 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.638 |
| InChI Key: | SWQYWZZYKPDZBA-UHFFFAOYSA-N |