![Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate structure](/static/products/1036/1036067-56-7.webp)
Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate
TL;DR: Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate (CAS 1036067-56-7) is a chemical compound with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-3-pyridin-4-yl-1H-pyrazole-5-carboxylate
Also Known As: Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate, ethyl 4-bromo-3-pyridin-4-yl-1H-pyrazole-5-carboxylate, Ethyl 4-bromo-5-(pyridin-4-yl)-1h-pyrazole-3-carboxylate, Ethyl 4-bromo-3-(4-pyridinyl)-1H-pyrazole-5-carboxylate #
| Molecular Formula | C11H10BrN3O2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.99564 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 1036067-56-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1)C2=CC=NC=C2)Br |
| InChIKey | MTJKUQRMTMGCGY-UHFFFAOYSA-N |
Product Overview
Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate (CAS 1036067-56-7), with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol. IUPAC: ethyl 4-bromo-3-pyridin-4-yl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate
Property Insights of Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate 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 Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate?
The CAS number of Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate is 1036067-56-7.
What is the molecular formula of Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate?
The molecular formula of Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate is C11H10BrN3O2.
What is the molecular weight of Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate?
The molecular weight of Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate is 295.00 g/mol.
Where can I buy Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate?
You can request a quote for Ethyl 5-[4-pyridyl]-4-bromopyrazole-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-[4-pyridyl]-4-bromopyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[4-pyridyl]-4-bromopyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.