1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester
TL;DR: 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester (CAS 885319-49-3) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-1H-pyrazole-3-carboxylate
Also Known As: Ethyl 3-ethyl-1H-pyrazole-5-carboxylate, ethyl 5-ethyl-1H-pyrazole-3-carboxylate, Sildenafil Impurity 225, 3-Ethyl-1H-pyrazole-5-carboxylic acid ethyl ester, 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.1488 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 267.77652 |
Chemical Identifiers
| CAS Number | 885319-49-3 |
|---|---|
| SMILES | CCC1=CC(=NN1)C(=O)OCC |
Product Overview
1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester (CAS 885319-49-3), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: ethyl 5-ethyl-1H-pyrazole-3-carboxylate.
Chemical Property Profile of 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester
Property Insights of 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester
The XLogP value of 1.1488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester. With a topological polar surface area (TPSA) of 54.98 Ų, 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester?
The CAS number of 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester is 885319-49-3.
What is the molecular formula of 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester?
The molecular formula of 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester is C8H12N2O2.
What is the molecular weight of 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester?
The molecular weight of 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester is 168.09 g/mol.
Where can I buy 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester?
You can request a quote for 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-carboxylic acid, 5-ethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.