N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y204-5231 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C14 H16 N4 O3 |
| Smiles: | CCn1cc(CNC(c2cccc(c2)[N+]([O-])=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5666 |
| logD: | 1.5666 |
| logSw: | -2.1715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.888 |
| InChI Key: | QQYLNDYGEFTTSJ-UHFFFAOYSA-N |