5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester
TL;DR: 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester (CAS 51985-95-6) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate
Also Known As: methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate, 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester, Maybridge3_001122, methyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate, ACN-C000736
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 51985-95-6 |
|---|---|
| SMILES | CN1C(=O)C=C(N1)C(=O)OC |
| InChIKey | LWNUKBMQSHAGKD-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester (CAS 51985-95-6), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: methyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate.
Chemical Property Profile of 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester
Property Insights of 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester 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 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester?
The CAS number of 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester is 51985-95-6.
What is the molecular formula of 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular formula of 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester is C6H8N2O3.
What is the molecular weight of 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular weight of 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester is 156.05 g/mol.
Where can I buy 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester?
You can request a quote for 5-Hydroxy-1-methyl-1H-pyrazole-3-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 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.