N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0317 |
| Compound Name: | N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)NC(CCCn2c(C)c(c(C)n2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4809 |
| logD: | 1.4806 |
| logSw: | -2.3787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.314 |
| InChI Key: | WHZSOKHKPSGZET-UHFFFAOYSA-N |