methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
TL;DR: methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS 501006-40-2) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-oxo-1,4-dihydropyrazol-3-yl)acetate
Also Known As: methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl 2-(5-oxo-1,4-dihydropyrazol-3-yl)acetate, 1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, methyl ester, 1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, methyl ester, Methyl (5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 501006-40-2 |
|---|---|
| SMILES | COC(=O)CC1=NNC(=O)C1 |
| InChIKey | MZUTZMLMSKQUJR-UHFFFAOYSA-N |
Product Overview
methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate (CAS 501006-40-2), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: methyl 2-(5-oxo-1,4-dihydropyrazol-3-yl)acetate.
Chemical Property Profile of methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
Property Insights of methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
The XLogP value of -0.4 indicates that methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate has 1 hydrogen bond donor(s) and 4 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 methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
The CAS number of methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is 501006-40-2.
What is the molecular formula of methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
The molecular formula of methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is C6H8N2O3.
What is the molecular weight of methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
The molecular weight of methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate is 156.05 g/mol.
Where can I buy methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
You can request a quote for methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.