4-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitrobenzamide
4-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y500-9301 |
| Compound Name: | 4-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-nitrobenzamide |
| Molecular Weight: | 308.72 |
| Molecular Formula: | C13 H13 Cl N4 O3 |
| Smiles: | Cc1c(CNC(c2ccc(cc2[N+]([O-])=O)[Cl])=O)cn(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8932 |
| logD: | 1.8898 |
| logSw: | -3.179 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.894 |
| InChI Key: | AUGPAKFIYNKPTJ-UHFFFAOYSA-N |