4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
Chemical Structure Depiction of
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide
Compound characteristics
| Compound ID: | C163-0210 |
| Compound Name: | 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}butanamide |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C19 H22 N6 O3 |
| Smiles: | Cc1ccc(Cn2ccc(NC(CCCn3c(C)cc(n3)[N+]([O-])=O)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.4617 |
| logD: | 1.4579 |
| logSw: | -2.3877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.096 |
| InChI Key: | BJPBAVYKZLSXDP-UHFFFAOYSA-N |