N-(2-acetylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(2-acetylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-(2-acetylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0249 |
| Compound Name: | N-(2-acetylphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C17 H20 N4 O4 |
| Smiles: | CC(c1ccccc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0248 |
| logD: | 1.0109 |
| logSw: | -2.3037 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.557 |
| InChI Key: | TWVGCEPZKZPLKT-UHFFFAOYSA-N |