4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)butanamide
Compound characteristics
| Compound ID: | C226-4283 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethylphenyl)butanamide |
| Molecular Weight: | 395.25 |
| Molecular Formula: | C16 H19 Br N4 O3 |
| Smiles: | Cc1ccc(cc1C)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9254 |
| logD: | 2.9254 |
| logSw: | -3.3385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.386 |
| InChI Key: | ZFBOCFZYDIYXCG-UHFFFAOYSA-N |