4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid
TL;DR: 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid (CAS 75239-15-5) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-1-methylpyrazole-3-carboxylic acid
Also Known As: 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid, 4-acetyl-1-methylpyrazole-3-carboxylic acid, 4-acetyl-1-methyl-pyrazole-3-carboxylic Acid, 4-acetyl-1-methyl-1H-pyrazole-3-carboxylicacid, 832-195-0
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 0.3209 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 308.92072 |
Chemical Identifiers
| CAS Number | 75239-15-5 |
|---|---|
| SMILES | CC(=O)C1=CN(N=C1C(=O)O)C |
Product Overview
4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid (CAS 75239-15-5), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: 4-acetyl-1-methylpyrazole-3-carboxylic acid.
Chemical Property Profile of 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid
Property Insights of 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid
The XLogP value of 0.3209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid 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 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid is 75239-15-5.
What is the molecular formula of 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid is C7H8N2O3.
What is the molecular weight of 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid is 168.05 g/mol.
Where can I buy 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-acetyl-1-methyl-1H-pyrazole-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-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-1-methyl-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.