Pyrazole-3(5)-carboxylic acid methyl ester
TL;DR: Pyrazole-3(5)-carboxylic acid methyl ester (CAS 28188-08-1) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pyrazole-1-carboxylate
Also Known As: Methyl Pyrazole-1-carboxylate, methyl 1H-pyrazole-1-carboxylate, pyrazole-1-carboxylic acid methyl ester, 1H-Pyrazole-1-carboxylic acid methyl ester, pyrazole-3(5)-carboxylic acid methyl ester
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.4976 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 192.73273 |
Chemical Identifiers
| CAS Number | 28188-08-1 |
|---|---|
| SMILES | COC(=O)N1C=CC=N1 |
Product Overview
Pyrazole-3(5)-carboxylic acid methyl ester (CAS 28188-08-1), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: methyl pyrazole-1-carboxylate.
Chemical Property Profile of Pyrazole-3(5)-carboxylic acid methyl ester
Property Insights of Pyrazole-3(5)-carboxylic acid methyl ester
The XLogP value of 0.4976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole-3(5)-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 44.12 Ų, Pyrazole-3(5)-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole-3(5)-carboxylic acid methyl ester has 0 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 Pyrazole-3(5)-carboxylic acid methyl ester?
The CAS number of Pyrazole-3(5)-carboxylic acid methyl ester is 28188-08-1.
What is the molecular formula of Pyrazole-3(5)-carboxylic acid methyl ester?
The molecular formula of Pyrazole-3(5)-carboxylic acid methyl ester is C5H6N2O2.
What is the molecular weight of Pyrazole-3(5)-carboxylic acid methyl ester?
The molecular weight of Pyrazole-3(5)-carboxylic acid methyl ester is 126.04 g/mol.
Where can I buy Pyrazole-3(5)-carboxylic acid methyl ester?
You can request a quote for Pyrazole-3(5)-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole-3(5)-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole-3(5)-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.