Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
TL;DR: Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate (CAS 100852-80-0) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 1-methylpyrazole-3,5-dicarboxylate
Also Known As: Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate, diethyl 1-methylpyrazole-3,5-dicarboxylate, 3,5-diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate, TimTec1_003325, 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid diethyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.09535 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.09535 Da |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
| SMILES | CCOC(=O)C1=CC(=NN1C)C(=O)OCC |
| InChIKey | WPKJUUKSWNCKPZ-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
Property Insights of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
The CAS number of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate is 100852-80-0.
What is the molecular formula of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
The molecular formula of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate is C10H14N2O4.
What is the molecular weight of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
The molecular weight of Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate is 226.09535 g/mol.
Where can I buy Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
You can request a quote for Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.