N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0207 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)NC(CCCn1c(C)cc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7984 |
| logD: | 0.798 |
| logSw: | -2.2925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.026 |
| InChI Key: | DPBOGUKXCSYYKS-UHFFFAOYSA-N |