4-Methyl-2-pyrazolin-5-one
TL;DR: 4-Methyl-2-pyrazolin-5-one (CAS 13315-23-6) is a chemical compound with molecular formula C4H6N2O and molecular weight 98.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,4-dihydropyrazol-5-one
Also Known As: 4-Methyl-2-pyrazolin-5-one, 4-Methyl-1H-pyrazol-5(4H)-one, 4-Methyl-5-pyrazolone, 4-methyl-1,4-dihydropyrazol-5-one, 4-Methyl-pyrazolon-5
| Molecular Formula | C4H6N2O |
|---|---|
| Molecular Weight | 98.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.04801 |
| Heavy Atoms | 7 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 13315-23-6 |
|---|---|
| SMILES | CC1C=NNC1=O |
| InChIKey | GWYFIIHULJCWMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-pyrazolin-5-one (CAS 13315-23-6), with molecular formula C4H6N2O and molecular weight 98.05 g/mol. IUPAC: 4-methyl-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 4-Methyl-2-pyrazolin-5-one
Property Insights of 4-Methyl-2-pyrazolin-5-one
The XLogP value of -0.2 indicates that 4-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, 4-Methyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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
Frequently Asked Questions
What is the CAS number of 4-Methyl-2-pyrazolin-5-one?
The CAS number of 4-Methyl-2-pyrazolin-5-one is 13315-23-6.
What is the molecular formula of 4-Methyl-2-pyrazolin-5-one?
The molecular formula of 4-Methyl-2-pyrazolin-5-one is C4H6N2O.
What is the molecular weight of 4-Methyl-2-pyrazolin-5-one?
The molecular weight of 4-Methyl-2-pyrazolin-5-one is 98.05 g/mol.
Where can I buy 4-Methyl-2-pyrazolin-5-one?
You can request a quote for 4-Methyl-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.