4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(pyridin-3-yl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(pyridin-3-yl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(pyridin-3-yl)butanamide
Compound characteristics
| Compound ID: | C163-0017 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(pyridin-3-yl)butanamide |
| Molecular Weight: | 323.74 |
| Molecular Formula: | C13 H14 Cl N5 O3 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1cccnc1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.8123 |
| logD: | 0.812 |
| logSw: | -2.7223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.903 |
| InChI Key: | IGMMXJYALHKUGM-UHFFFAOYSA-N |