4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C226-4308 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)butanamide |
| Molecular Weight: | 397.23 |
| Molecular Formula: | C15 H17 Br N4 O4 |
| Smiles: | Cc1c(c(nn1CCCC(Nc1ccc(cc1)OC)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.9204 |
| logD: | 1.9204 |
| logSw: | -2.5062 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.929 |
| InChI Key: | KJIRHRRTYKLPQR-UHFFFAOYSA-N |