4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid (CAS 7231-19-8) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-5-methyl-1-phenylpyrazole-3-carboxylic acid
Also Known As: 4-acetyl-5-methyl-1-phenyl-1h-pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenylpyrazole-3-carboxylic acid, J2.613.647D, 4-acetyl-5-methyl-1-phenyl-pyrazole-3-carboxylic Acid, 1-Phenyl-4-acetyl-5-methyl-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.08152 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 614.6666 |
Chemical Identifiers
| CAS Number | 7231-19-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C(=O)O)C(=O)C |
Product Overview
4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid (CAS 7231-19-8), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 4-acetyl-5-methyl-1-phenylpyrazole-3-carboxylic acid.
Chemical Property Profile of 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.08152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Acetyl-5-methyl-1-phenyl-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-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid is 7231-19-8.
What is the molecular formula of 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid is C13H12N2O3.
What is the molecular weight of 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid is 244.08 g/mol.
Where can I buy 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Acetyl-5-methyl-1-phenyl-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-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.