3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
TL;DR: 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one (CAS 17952-97-5) is a chemical compound with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1,2-dioxidopyrazole-1,2-diium-4-one
Also Known As: 3,5-dimethyl-1,2-dioxido-pyrazol-4-one, 3,5-Dimethyl-4-oxo-4H-pyrazole 1,2-dioxide, 4-oxo-3,5-dimethyl-4h-pyrazole 1,2-dioxide, 2,5-dimethyl-3,4-diazacyclopentadienone dioxide, 3,5-dimethyl-1,2-dioxidopyrazole-1,2-diium-4-one
| Molecular Formula | C5H6N2O3 |
|---|---|
| Molecular Weight | 142.04 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.03784 |
| Heavy Atoms | 10 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 17952-97-5 |
|---|---|
| SMILES | CC1=[N+]([N+](=C(C1=O)C)[O-])[O-] |
| InChIKey | OCHDUCZHIXXEOJ-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one (CAS 17952-97-5), with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol. IUPAC: 3,5-dimethyl-1,2-dioxidopyrazole-1,2-diium-4-one.
Chemical Property Profile of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
Property Insights of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one
The XLogP value of -1.5 indicates that 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one. Following Lipinski's Rule of Five, 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-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
Frequently Asked Questions
What is the CAS number of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
The CAS number of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one is 17952-97-5.
What is the molecular formula of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
The molecular formula of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one is C5H6N2O3.
What is the molecular weight of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
The molecular weight of 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one is 142.04 g/mol.
Where can I buy 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
You can request a quote for 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1,2-dioxo-4H-1lambda~5~,2lambda~5~-pyrazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.