1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester
TL;DR: 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester (CAS 63514-79-4) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyl-5-methyl-1-phenylpyrazole-3-carboxylate
Also Known As: ethyl 4-acetyl-5-methyl-1-phenyl-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester, ethyl 4-acetyl-5-methyl-1-phenylpyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid,4-acetyl-5-methyl-1-phenyl-,ethyl ester, RefChem:239921
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.56002 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 644.6383 |
Chemical Identifiers
| CAS Number | 63514-79-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1C(=O)C)C)C2=CC=CC=C2 |
Product Overview
1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester (CAS 63514-79-4), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: ethyl 4-acetyl-5-methyl-1-phenylpyrazole-3-carboxylate.
Chemical Property Profile of 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester
Property Insights of 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester
The XLogP value of 2.56002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester has 0 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 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester?
The CAS number of 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester is 63514-79-4.
What is the molecular formula of 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester?
The molecular formula of 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester is C15H16N2O3.
What is the molecular weight of 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester?
The molecular weight of 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester is 272.12 g/mol.
Where can I buy 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester?
You can request a quote for 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-carboxylic acid, 4-acetyl-5-methyl-1-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.