2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
TL;DR: 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone (CAS 353499-47-5) is a chemical compound with molecular formula C13H19ClN4O3 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
Also Known As: BAS 00318341, BIM-0018363.P001, 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone, 2-(4-Chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-(2-ethyl-piperidin-1-yl)-ethanone, 1-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-2-ethylpiperidine
| Molecular Formula | C13H19ClN4O3 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 2.54422 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.11456 |
| Heavy Atoms | 21 |
| Complexity | 557.85645 |
Chemical Identifiers
| CAS Number | 353499-47-5 |
|---|---|
| SMILES | CCC1CCCCN1C(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Cl)C |
Product Overview
2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone (CAS 353499-47-5), with molecular formula C13H19ClN4O3 and molecular weight 314.11 g/mol. IUPAC: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone.
Chemical Property Profile of 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
Property Insights of 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
The XLogP value of 2.54422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone 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 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The CAS number of 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone is 353499-47-5.
What is the molecular formula of 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The molecular formula of 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone is C13H19ClN4O3.
What is the molecular weight of 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The molecular weight of 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone is 314.11 g/mol.
Where can I buy 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
You can request a quote for 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.