N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y508-3692 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 318.33 |
| Molecular Formula: | C15 H18 N4 O4 |
| Smiles: | CCOc1ccccc1CNC(c1c(c(C)nn1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6913 |
| logD: | 1.6866 |
| logSw: | -2.1693 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.51 |
| InChI Key: | FMSXLMFXWKCIDA-UHFFFAOYSA-N |