N-(4-bromophenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(4-bromophenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0032 |
| Compound Name: | N-(4-bromophenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 401.64 |
| Molecular Formula: | C14 H14 Br Cl N4 O3 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1ccc(cc1)[Br])=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7227 |
| logD: | 2.722 |
| logSw: | -3.8544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.386 |
| InChI Key: | CWKOWFBHWQIAFI-UHFFFAOYSA-N |