4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | C163-0079 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C16 H19 Cl N4 O3 |
| Smiles: | Cc1c(c(nn1CCCC(NCCc1ccccc1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.3637 |
| logD: | 1.3637 |
| logSw: | -2.9608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.549 |
| InChI Key: | IVRDBIUIZVHEED-UHFFFAOYSA-N |