1-(azepan-1-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-6955 |
| Compound Name: | 1-(azepan-1-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 300.74 |
| Molecular Formula: | C12 H17 Cl N4 O3 |
| Smiles: | Cc1c(c(nn1CC(N1CCCCCC1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6037 |
| logD: | 1.6037 |
| logSw: | -2.6252 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.981 |
| InChI Key: | DNAJUKAROLLFRK-UHFFFAOYSA-N |