3-Methyl-2-pyrazolin-5-one
TL;DR: 3-Methyl-2-pyrazolin-5-one (CAS 108-26-9) is a chemical compound with molecular formula C4H6N2O and molecular weight 98.04801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1,4-dihydropyrazol-5-one
Also Known As: 3-Methyl-2-pyrazolin-5-one, 3-Methyl-5-pyrazolone, 3-Methyl-1H-pyrazol-5(4H)-one, 3-Methyl-pyrazolon-(5), 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6N2O |
| Molecular Weight | 98.04801 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.04801 Da |
| Heavy Atoms | 7 |
| Complexity | 128.0 |
| SMILES | CC1=NNC(=O)C1 |
| InChIKey | NHLAPJMCARJFOG-UHFFFAOYSA-N |
Product Description
Applications: 3-Methyl-2-pyrazolin-5-one is used in dye and pigment synthesis and coloration chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A dye and pigment intermediate supplied by CoreyChem, 3-Methyl-2-pyrazolin-5-one (CAS 108-26-9) has the molecular formula C4H6N2O and a molecular weight of 98.05 g/mol. Synonyms include 3-Methyl-2-pyrazolin-5-one and 3-Methyl-5-pyrazolone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Methyl-2-pyrazolin-5-one
Property Insights of 3-Methyl-2-pyrazolin-5-one
The XLogP value of -0.5 indicates that 3-Methyl-2-pyrazolin-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.5 Ų, 3-Methyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-pyrazolin-5-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 3-Methyl-2-pyrazolin-5-one?
The CAS number of 3-Methyl-2-pyrazolin-5-one is 108-26-9.
What is the molecular formula of 3-Methyl-2-pyrazolin-5-one?
The molecular formula of 3-Methyl-2-pyrazolin-5-one is C4H6N2O.
What is the molecular weight of 3-Methyl-2-pyrazolin-5-one?
The molecular weight of 3-Methyl-2-pyrazolin-5-one is 98.04801 g/mol.
What are the applications of 3-Methyl-2-pyrazolin-5-one?
3-Methyl-2-pyrazolin-5-one is used in dye and pigment synthesis and coloration chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 3-Methyl-2-pyrazolin-5-one?
You can request a quote for 3-Methyl-2-pyrazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-2-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.