4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-chloro-4-nitrophenyl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-chloro-4-nitrophenyl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-chloro-4-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | C163-0016 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-chloro-4-nitrophenyl)butanamide |
| Molecular Weight: | 402.19 |
| Molecular Formula: | C14 H13 Cl2 N5 O5 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.131 |
| logD: | 1.7377 |
| logSw: | -3.4921 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.069 |
| InChI Key: | CTAWXXYGKIIMAC-UHFFFAOYSA-N |