N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0211 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 437.28 |
| Molecular Formula: | C18 H18 Cl2 N6 O3 |
| Smiles: | Cc1cc(nn1CCCC(Nc1cnn(Cc2ccc(cc2[Cl])[Cl])c1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3123 |
| logD: | 2.3115 |
| logSw: | -3.3002 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.646 |
| InChI Key: | UBUJPDXBBNPKHC-UHFFFAOYSA-N |