2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethan-1-one
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y508-0124 |
| Compound Name: | 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 314.77 |
| Molecular Formula: | C13 H19 Cl N4 O3 |
| Smiles: | CCC1CCCCN1C(Cn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8559 |
| logD: | 1.8559 |
| logSw: | -2.8199 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.297 |
| InChI Key: | ITIGKKSMCMUWRE-JTQLQIEISA-N |