N-(1-ethyl-1H-pyrazol-5-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(1-ethyl-1H-pyrazol-5-yl)-3-nitrobenzamide
N-(1-ethyl-1H-pyrazol-5-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | D293-0089 |
| Compound Name: | N-(1-ethyl-1H-pyrazol-5-yl)-3-nitrobenzamide |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C12 H12 N4 O3 |
| Smiles: | [H]N(C(c1cccc(c1)[N+]([O-])=O)=O)c1ccnn1CC |
| Stereo: | ACHIRAL |
| logP: | 1.778 |
| logD: | 1.7725 |
| logSw: | -2.3585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.141 |
| InChI Key: | MDITXNKZBRBSHV-UHFFFAOYSA-N |