![1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine structure](/static/products/1025/1025769-22-5.webp)
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine
TL;DR: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine (CAS 1025769-22-5) is a chemical compound with molecular formula C21H17F3N6O6 and molecular weight 506.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]piperidine
Also Known As: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine, 6X-0316, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]piperidine, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-2H-pyrazol-3-yl]piperidine
| Molecular Formula | C21H17F3N6O6 |
|---|---|
| Molecular Weight | 506.12 g/mol |
| LogP | 5.2041 |
| Topological Polar Surface Area | 161.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.11618 |
| Heavy Atoms | 36 |
| Complexity | 1314.9008 |
Chemical Identifiers
| CAS Number | 1025769-22-5 |
|---|---|
| SMILES | C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine (CAS 1025769-22-5), with molecular formula C21H17F3N6O6 and molecular weight 506.12 g/mol. IUPAC: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]piperidine.
Chemical Property Profile of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine
Property Insights of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine
The XLogP value of 5.2041 indicates that 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.34 Ų indicates high polarity, suggesting 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine?
The CAS number of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine is 1025769-22-5.
What is the molecular formula of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine?
The molecular formula of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine is C21H17F3N6O6.
What is the molecular weight of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine?
The molecular weight of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine is 506.12 g/mol.
Where can I buy 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine?
You can request a quote for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.