4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-iodo-2-methylphenyl)butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-iodo-2-methylphenyl)butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-iodo-2-methylphenyl)butanamide
Compound characteristics
| Compound ID: | 8016-6469 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-iodo-2-methylphenyl)butanamide |
| Molecular Weight: | 442.25 |
| Molecular Formula: | C16 H19 I N4 O3 |
| Smiles: | Cc1cc(ccc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)I |
| Stereo: | ACHIRAL |
| logP: | 2.8077 |
| logD: | 2.8066 |
| logSw: | -3.3214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.73 |
| InChI Key: | NHUVBZFUCBSWTA-UHFFFAOYSA-N |