2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
TL;DR: 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one (CAS 102689-15-6) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
Also Known As: 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one, 2,4-Dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-3H-pyrazol-3-one, 1-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-3-phenyl-1H-pyrazol-5(4H)-one, 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-2-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-, 2-(2,2-Dimethyloxan-4-yl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C16H20N2O2 |
| Molecular Weight | 272.15247 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.15247 Da |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
| SMILES | CC1(CC(CCO1)N2C(=O)CC(=N2)C3=CC=CC=C3)C |
| InChIKey | DNKYSMUELKMFQG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
Property Insights of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one. With a topological polar surface area (TPSA) of 41.9 Ų, 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one?
The CAS number of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one is 102689-15-6.
What is the molecular formula of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one?
The molecular formula of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one is C16H20N2O2.
What is the molecular weight of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one?
The molecular weight of 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one is 272.15247 g/mol.
Where can I buy 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one?
You can request a quote for 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.