4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-cyanophenyl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-cyanophenyl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-cyanophenyl)butanamide
Compound characteristics
| Compound ID: | C226-4281 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-cyanophenyl)butanamide |
| Molecular Weight: | 392.21 |
| Molecular Formula: | C15 H14 Br N5 O3 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1ccc(C#N)cc1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.5925 |
| logD: | 1.5908 |
| logSw: | -2.2663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.442 |
| InChI Key: | AHDKKWITJWVQMK-UHFFFAOYSA-N |