5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one
5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | R049-0025 |
| Compound Name: | 5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 140.18 |
| Molecular Formula: | C7 H12 N2 O |
| Smiles: | CC(C)(C)C1CC(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2042 |
| logD: | 1.0518 |
| logSw: | -1.1509 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.013 |
| InChI Key: | VDNOHRWEOSDGQX-UHFFFAOYSA-N |