N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0203 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 465.34 |
| Molecular Formula: | C20 H22 Cl2 N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(c(c2)[Cl])[Cl])n1)NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1155 |
| logD: | 2.1152 |
| logSw: | -3.1662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.026 |
| InChI Key: | CIVYYHWLVNAWMK-UHFFFAOYSA-N |