Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate
TL;DR: Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate (CAS 618070-58-9) 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 5-methyl-1-phenacylpyrazole-3-carboxylate
Also Known As: Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate, ethyl 5-methyl-1-phenacylpyrazole-3-carboxylate, Ethyl 5-methyl-1-phenacyl-pyrazole-3-carboxylate, 632-077-7, RefChem:595811
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.25112 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 617.3038 |
Chemical Identifiers
| CAS Number | 618070-58-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1)C)CC(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate (CAS 618070-58-9), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: ethyl 5-methyl-1-phenacylpyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate
Property Insights of Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate
The XLogP value of 2.25112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate 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 Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate?
The CAS number of Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate is 618070-58-9.
What is the molecular formula of Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate?
The molecular formula of Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate is C15H16N2O3.
What is the molecular weight of Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate?
The molecular weight of Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate is 272.12 g/mol.
Where can I buy Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate?
You can request a quote for Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.