5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 26974-16-3) is a chemical compound with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole, 3-(thiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole, 5-(Thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazole, 4-METHYLOXINDOLE, thienyltrifluoromethylpyrazole
| Molecular Formula | C8H5F3N2S |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.01256 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 26974-16-3 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NNC(=C2)C(F)(F)F |
| InChIKey | RAQSZNBGFKBCNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 26974-16-3), with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol. IUPAC: 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 56.9 Ų, 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole has 1 hydrogen bond donor(s) and 5 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-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole is 26974-16-3.
What is the molecular formula of 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole is C8H5F3N2S.
What is the molecular weight of 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole is 218.01 g/mol.
Where can I buy 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 5-(2-Thienyl)-3-(trifluoromethyl)-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-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Thienyl)-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.