4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
Compound characteristics
| Compound ID: | C226-4299 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide |
| Molecular Weight: | 477.32 |
| Molecular Formula: | C19 H21 Br N6 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 0.4877 |
| logD: | 0.3177 |
| logSw: | -1.6849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.767 |
| InChI Key: | PCXMTQTXSWJVDA-UHFFFAOYSA-N |