5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
TL;DR: 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester (CAS 53960-18-2) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Also Known As: methyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate, methyl 5-oxo-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylate, 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.9523 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 453.55728 |
Chemical Identifiers
| CAS Number | 53960-18-2 |
|---|---|
| SMILES | COC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2 |
Product Overview
5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester (CAS 53960-18-2), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: methyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
Property Insights of 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
The XLogP value of 0.9523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 58.97 Ų, 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl 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 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester?
The CAS number of 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester is 53960-18-2.
What is the molecular formula of 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular formula of 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester is C11H10N2O3.
What is the molecular weight of 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester?
The molecular weight of 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester is 218.07 g/mol.
Where can I buy 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester?
You can request a quote for 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.