4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide
Compound characteristics
| Compound ID: | C226-4332 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}butanamide |
| Molecular Weight: | 489.37 |
| Molecular Formula: | C21 H25 Br N6 O3 |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.356 |
| logD: | 2.3557 |
| logSw: | -2.6553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.272 |
| InChI Key: | QKYXCUGULAALPK-UHFFFAOYSA-N |