4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(prop-2-en-1-yl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(prop-2-en-1-yl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(prop-2-en-1-yl)butanamide
Compound characteristics
| Compound ID: | C226-4266 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(prop-2-en-1-yl)butanamide |
| Molecular Weight: | 331.17 |
| Molecular Formula: | C11 H15 Br N4 O3 |
| Smiles: | Cc1c(c(nn1CCCC(NCC=C)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.3728 |
| logD: | 0.3728 |
| logSw: | -1.3528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.821 |
| InChI Key: | YOGMXBCQKOUFKC-UHFFFAOYSA-N |