diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate
TL;DR: diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate (CAS 54388-85-1) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate
Also Known As: diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate, 5-Methyl-1H-pyrazole-3,4-dicarboxylic acid diethyl ester, 5-methyl-1(2)H-pyrazole-3,4-dicarboxylic acid diethyl ester
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.07152 |
| Topological Polar Surface Area | 81.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 397.52335 |
Chemical Identifiers
| CAS Number | 54388-85-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1C(=O)OCC)C |
Product Overview
diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate (CAS 54388-85-1), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate.
Chemical Property Profile of diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate
Property Insights of diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate
The XLogP value of 1.07152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate. The TPSA of 81.28 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate has 1 hydrogen bond donor(s) and 5 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 diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate?
The CAS number of diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate is 54388-85-1.
What is the molecular formula of diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate?
The molecular formula of diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate is C10H14N2O4.
What is the molecular weight of diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate?
The molecular weight of diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate is 226.10 g/mol.
Where can I buy diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate?
You can request a quote for diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-methyl-1H-pyrazole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.