![1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone structure](/static/products/1026/1026078-87-4.webp)
1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone
TL;DR: 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone (CAS 1026078-87-4) is a chemical compound with molecular formula C22H20Cl2N4O3 and molecular weight 458.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitrophenyl]ethanone
Also Known As: 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone, 1-[4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitrophenyl]ethanone, 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidin-1-yl}-3-nitrophenyl)ethan-1-one, 1-(4-{4-[5-(2,4-dichlorophenyl)-2H-pyrazol-3-yl]piperidin-1-yl}-3-nitrophenyl)ethanone, 1-[4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitrophenyl]ethanone
| Molecular Formula | C22H20Cl2N4O3 |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 5.8783 |
| Topological Polar Surface Area | 92.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.09125 |
| Heavy Atoms | 31 |
| Complexity | 1153.4078 |
Chemical Identifiers
| CAS Number | 1026078-87-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-] |
Product Overview
1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone (CAS 1026078-87-4), with molecular formula C22H20Cl2N4O3 and molecular weight 458.09 g/mol. IUPAC: 1-[4-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitrophenyl]ethanone.
Chemical Property Profile of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone
Property Insights of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone
The XLogP value of 5.8783 indicates that 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone. Following Lipinski's Rule of Five, 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone?
The CAS number of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone is 1026078-87-4.
What is the molecular formula of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone?
The molecular formula of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone is C22H20Cl2N4O3.
What is the molecular weight of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone?
The molecular weight of 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone is 458.09 g/mol.
Where can I buy 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone?
You can request a quote for 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidino}-3-nitrophenyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.