4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
Compound characteristics
| Compound ID: | C163-0088 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide |
| Molecular Weight: | 499.78 |
| Molecular Formula: | C20 H21 Cl3 N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])[Cl])n1)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7449 |
| logD: | 2.7446 |
| logSw: | -3.6387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.272 |
| InChI Key: | PPMSHMLIYGEHNW-UHFFFAOYSA-N |