5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester
TL;DR: 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester (CAS 948553-92-2) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate
Also Known As: Ethyl 5-(pyridin-4-yl)-1H-pyrazole-3-carboxylate, Ethyl 5-(4-Pyridinyl)pyrazole-3-carboxylate, ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate, Ethyl 3-(pyridin-4-yl)pyrazole-5-carboxylate, 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 948553-92-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1)C2=CC=NC=C2 |
| InChIKey | DKADLBFTYWLLOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester (CAS 948553-92-2), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester
Property Insights of 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester has 1 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-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester?
The CAS number of 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester is 948553-92-2.
What is the molecular formula of 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester?
The molecular formula of 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester is C11H11N3O2.
What is the molecular weight of 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester?
The molecular weight of 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester is 217.09 g/mol.
Where can I buy 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester?
You can request a quote for 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.