3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 71471-40-4) 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.
3-ethoxycarbonyl-1-methylpyrazole-5-carboxylic acid
Also Known As: 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid, (4-BROMOPHENYL)SUCCINIC ACID, 5-ethoxycarbonyl-2-methylpyrazole-3-carboxylic acid, 1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,3-ethylester(9CI), 5-ethoxycarbonyl-2-methyl-pyrazole-3-carboxylic Acid
| Molecular Formula | C8H10N2O4 |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 0.295 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.06406 |
| Heavy Atoms | 14 |
| Complexity | 369.4182 |
Chemical Identifiers
| CAS Number | 71471-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1)C(=O)O)C |
Product Overview
3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 71471-40-4), with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol. IUPAC: 3-ethoxycarbonyl-1-methylpyrazole-5-carboxylic acid.
Chemical Property Profile of 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
The XLogP value of 0.295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid 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 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid is 71471-40-4.
What is the molecular formula of 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid is C8H10N2O4.
What is the molecular weight of 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid is 198.06 g/mol.
Where can I buy 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.