5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester
TL;DR: 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester (CAS 79746-67-1) is a chemical compound with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
Also Known As: methyl 5-hydroxy-1H-pyrazole-3-carboxylate, Methyl 5-Hydroxy-pyrazole-3-carboxylate, methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate, Methyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate, METHYL 3-HYDROXY-1H-PYRAZOLE-5-CARBOXYLATE
| Molecular Formula | C5H6N2O3 |
|---|---|
| Molecular Weight | 142.04 g/mol |
| LogP | -0.5104 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.03784 |
| Heavy Atoms | 10 |
| Complexity | 285.08322 |
Chemical Identifiers
| CAS Number | 79746-67-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)NN1 |
Product Overview
5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester (CAS 79746-67-1), with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol. IUPAC: methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate.
Chemical Property Profile of 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester
Property Insights of 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester
The XLogP value of -0.5104 indicates that 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester has 2 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 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester?
The CAS number of 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester is 79746-67-1.
What is the molecular formula of 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular formula of 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester is C5H6N2O3.
What is the molecular weight of 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular weight of 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester is 142.04 g/mol.
Where can I buy 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester?
You can request a quote for 5-Hydroxy-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-1H-pyrazole-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.