N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y204-5333 |
| Compound Name: | N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C13 H14 N4 O3 |
| Smiles: | CCn1cc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.2495 |
| logD: | 1.2495 |
| logSw: | -2.1601 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.535 |
| InChI Key: | KXASFJDQOBCUNK-UHFFFAOYSA-N |