1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole
TL;DR: 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole (CAS 123066-63-7) is a chemical compound with molecular formula C11H5F6N3O2 and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)pyrazole
Also Known As: Tecloftalam, 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole, 1-(4-Nitrophenyl)-3,5-di(trifluoromethyl)-1H-pyrazole, 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)pyrazole, J1.108.409E
| Molecular Formula | C11H5F6N3O2 |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 3.8181 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0286 |
| Heavy Atoms | 22 |
| Complexity | 702.09796 |
Chemical Identifiers
| CAS Number | 123066-63-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=CC(=N2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole (CAS 123066-63-7), with molecular formula C11H5F6N3O2 and molecular weight 325.03 g/mol. IUPAC: 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)pyrazole.
Chemical Property Profile of 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole
Property Insights of 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole
The XLogP value of 3.8181 indicates that 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole?
The CAS number of 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole is 123066-63-7.
What is the molecular formula of 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole?
The molecular formula of 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole is C11H5F6N3O2.
What is the molecular weight of 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole?
The molecular weight of 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole is 325.03 g/mol.
Where can I buy 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole?
You can request a quote for 1-(4-nitrophenyl)-3,5-bis(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 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.