N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y204-5347 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 274.28 |
| Molecular Formula: | C13 H14 N4 O3 |
| Smiles: | Cc1c(CNC(c2ccc(cc2)[N+]([O-])=O)=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1392 |
| logD: | 1.1392 |
| logSw: | -2.1199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.195 |
| InChI Key: | CLRMSIMVPFLFJC-UHFFFAOYSA-N |