2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8016-8454 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide |
| Molecular Weight: | 378.18 |
| Molecular Formula: | C14 H12 Br N5 O3 |
| Smiles: | Cc1c(c(nn1CC(Nc1ccc(CC#N)cc1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.64 |
| logD: | 1.64 |
| logSw: | -2.336 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.899 |
| InChI Key: | OUBSXBULOUEFLY-UHFFFAOYSA-N |