N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0324 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 451.31 |
| Molecular Formula: | C19 H20 Cl2 N6 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2cnn(Cc3ccc(cc3[Cl])[Cl])c2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5715 |
| logD: | 2.5707 |
| logSw: | -3.4217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.933 |
| InChI Key: | IRPQNYHEENFYQW-UHFFFAOYSA-N |