5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
TL;DR: 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate (CAS 512809-16-4) is a chemical compound with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid
Also Known As: 5-(ethoxycarbonyl)-1-methyl-1H-pyrazole-3-carboxylic acid, 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid 5-ethyl ester, BAS 13521446, 5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid, 5-(ethoxycarbonyl)-1-methylpyrazole-3-carboxylic acid
| Molecular Formula | C8H10N2O4 |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.06406 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 512809-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C)C(=O)O |
| InChIKey | JLSQQJCFVRBJAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate (CAS 512809-16-4), with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol. IUPAC: 5-ethoxycarbonyl-1-methylpyrazole-3-carboxylic acid.
Chemical Property Profile of 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
Property Insights of 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, 5-Ethyl 1-methyl-1H-pyrazole-3,5-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 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
The CAS number of 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate is 512809-16-4.
What is the molecular formula of 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
The molecular formula of 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate is C8H10N2O4.
What is the molecular weight of 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
The molecular weight of 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate is 198.06 g/mol.
Where can I buy 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
You can request a quote for 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.