2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C226-4129 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 270.31 |
| Molecular Formula: | C10 H14 N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(N1CCCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2492 |
| logD: | 1.2386 |
| logSw: | -1.7939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.975 |
| InChI Key: | XZPGAKQLKPVQGL-UHFFFAOYSA-N |