4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
Compound characteristics
| Compound ID: | C163-0319 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | Cc1ccccc1Cn1ccc(NC(CCCn2c(C)c(c(C)n2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0849 |
| logD: | 2.0811 |
| logSw: | -2.5733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.383 |
| InChI Key: | HRBLVRQGAXUFTG-UHFFFAOYSA-N |