4-Methylpyrazole-3-carboxylic acid
TL;DR: 4-Methylpyrazole-3-carboxylic acid (CAS 1358752-83-6) 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.
4-methyl-1H-pyrazole-5-carboxylic acid
Also Known As: 4-METHYLPYRAZOLE-3-CARBOXYLIC ACID, 4-methyl-1H-pyrazole-3-carboxylic acid, null, 4-methyl-1H-pyrazole-5-carboxylic acid, methyl pyrazole carboxylic acid
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | 0.41632 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 228.61679 |
Chemical Identifiers
| CAS Number | 1358752-83-6 |
|---|---|
| SMILES | CC1=C(NN=C1)C(=O)O |
Product Overview
4-Methylpyrazole-3-carboxylic acid (CAS 1358752-83-6), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 4-methyl-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-Methylpyrazole-3-carboxylic acid
Property Insights of 4-Methylpyrazole-3-carboxylic acid
The XLogP value of 0.41632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpyrazole-3-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylpyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Methylpyrazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 4-Methylpyrazole-3-carboxylic acid?
The CAS number of 4-Methylpyrazole-3-carboxylic acid is 1358752-83-6.
What is the molecular formula of 4-Methylpyrazole-3-carboxylic acid?
The molecular formula of 4-Methylpyrazole-3-carboxylic acid is C5H6N2O2.
What is the molecular weight of 4-Methylpyrazole-3-carboxylic acid?
The molecular weight of 4-Methylpyrazole-3-carboxylic acid is 126.04 g/mol.
Where can I buy 4-Methylpyrazole-3-carboxylic acid?
You can request a quote for 4-Methylpyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.