5-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
5-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y020-9447 |
| Compound Name: | 5-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 154.21 |
| Molecular Formula: | C8 H14 N2 O |
| Smiles: | CC(C)CCC1CC(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6167 |
| logD: | 1.425 |
| logSw: | -1.7532 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.917 |
| InChI Key: | VRKIDYYMSITXCL-UHFFFAOYSA-N |