1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one
TL;DR: 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one (CAS 146797-26-4) is a chemical compound with molecular formula C5H8N2O and molecular weight 112.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dimethyl-1H-pyrazol-5-one
Also Known As: 2,3-Dimethyl-3-pyrazolin-5-one, 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one, 1,5-Dimethyl-1H-pyrazol-3(2H)-one, 2,3-dimethyl-1H-pyrazol-5-one, 2,3-dimethyl-5-pyrazolone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.06366 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.06366 Da |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
| SMILES | CC1=CC(=O)NN1C |
| InChIKey | ZITWSNQLWBKRBT-UHFFFAOYSA-N |
Chemical Property Profile of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one
Property Insights of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one. With a topological polar surface area (TPSA) of 32.3 Ų, 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one?
The CAS number of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one is 146797-26-4.
What is the molecular formula of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular formula of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one is C5H8N2O.
What is the molecular weight of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one?
The molecular weight of 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one is 112.06366 g/mol.
Where can I buy 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one?
You can request a quote for 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.