4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methylphenyl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methylphenyl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methylphenyl)butanamide
Compound characteristics
| Compound ID: | C226-4306 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-methylphenyl)butanamide |
| Molecular Weight: | 381.23 |
| Molecular Formula: | C15 H17 Br N4 O3 |
| Smiles: | Cc1ccc(cc1)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3614 |
| logD: | 2.3614 |
| logSw: | -2.8631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.386 |
| InChI Key: | OTRSCCZKMSCEEL-UHFFFAOYSA-N |