N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-3-nitrobenzamide
N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y502-1127 |
| Compound Name: | N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C13 H14 N4 O3 |
| Smiles: | CCn1ccc(CNC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4198 |
| logD: | 1.4198 |
| logSw: | -2.2506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.913 |
| InChI Key: | CIJYGTCWSWWQID-UHFFFAOYSA-N |