4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide
Compound characteristics
| Compound ID: | C163-0321 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | Cc1ccccc1Cn1cc(cn1)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9567 |
| logD: | 1.9559 |
| logSw: | -2.2774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.933 |
| InChI Key: | WIYYXZKBZNSZGF-UHFFFAOYSA-N |