4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-chlorophenyl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-chlorophenyl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-chlorophenyl)butanamide
Compound characteristics
| Compound ID: | C163-0002 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-chlorophenyl)butanamide |
| Molecular Weight: | 357.19 |
| Molecular Formula: | C14 H14 Cl2 N4 O3 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1cccc(c1)[Cl])=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6423 |
| logD: | 2.6416 |
| logSw: | -3.7963 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.386 |
| InChI Key: | WKUMWTSCQJZAMF-UHFFFAOYSA-N |