N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0094 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H23 Cl N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5158 |
| logD: | 1.5154 |
| logSw: | -2.9654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.272 |
| InChI Key: | PKWNLCLLRDAVIJ-UHFFFAOYSA-N |