![5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole structure](/static/products/3219/321998-98-5.webp)
5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole
TL;DR: 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole (CAS 321998-98-5) is a chemical compound with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
Also Known As: 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole, 5-[1-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole, 9C-085, 3-[1-[3-(trifluoromethyl)phenoxy]ethyl]-2H-pyrazole
| Molecular Formula | C12H11F3N2O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.5685 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08234 |
| Heavy Atoms | 18 |
| Complexity | 508.2911 |
Chemical Identifiers
| CAS Number | 321998-98-5 |
|---|---|
| SMILES | CC(C1=CC=NN1)OC2=CC=CC(=C2)C(F)(F)F |
Product Overview
5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole (CAS 321998-98-5), with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol. IUPAC: 5-[1-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole.
Chemical Property Profile of 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole
Property Insights of 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole
The XLogP value of 3.5685 indicates that 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole?
The CAS number of 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole is 321998-98-5.
What is the molecular formula of 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole?
The molecular formula of 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole is C12H11F3N2O.
What is the molecular weight of 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole?
The molecular weight of 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole is 256.08 g/mol.
Where can I buy 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole?
You can request a quote for 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{1-[3-(trifluoromethyl)phenoxy]ethyl}-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.