4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}butanamide
Compound characteristics
| Compound ID: | C163-0098 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}butanamide |
| Molecular Weight: | 471.73 |
| Molecular Formula: | C18 H17 Cl3 N6 O3 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1cnn(Cc2ccc(cc2[Cl])[Cl])c1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0297 |
| logD: | 3.0289 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.891 |
| InChI Key: | PRBVPPKQWQVWMG-UHFFFAOYSA-N |