1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(pyridin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(pyridin-2-yl)sulfanyl]ethan-1-one
1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(pyridin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8001-8099 |
| Compound Name: | 1-(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(pyridin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 265.33 |
| Molecular Formula: | C12 H15 N3 O2 S |
| Smiles: | CC1CC(C)(N(C(CSc2ccccn2)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9889 |
| logD: | 0.9889 |
| logSw: | -1.9301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.761 |
| InChI Key: | NKQJXKSRXAVYAH-LBPRGKRZSA-N |