2-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide
2-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | Y509-0411 |
| Compound Name: | 2-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide |
| Molecular Weight: | 308.72 |
| Molecular Formula: | C13 H13 Cl N4 O3 |
| Smiles: | Cc1c(CNC(c2cc(ccc2[Cl])[N+]([O-])=O)=O)cnn1C |
| Stereo: | ACHIRAL |
| logP: | 2.065 |
| logD: | 2.0648 |
| logSw: | -3.3554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.52 |
| InChI Key: | IOSKMIRJWSWDNG-UHFFFAOYSA-N |