3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole (CAS 890602-69-4) is a chemical compound with molecular formula C10H6F3N3O2 and molecular weight 257.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole, J1.026.877J, 3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole, 1H-Pyrazole, 5-(4-nitrophenyl)-3-(trifluoromethyl)-, 3-(4-Nitro-phenyl)-5-trifluoromethyl-1H-pyrazole
| Molecular Formula | C10H6F3N3O2 |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | 3.0037 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0412 |
| Heavy Atoms | 18 |
| Complexity | 574.799 |
Chemical Identifiers
| CAS Number | 890602-69-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole (CAS 890602-69-4), with molecular formula C10H6F3N3O2 and molecular weight 257.04 g/mol. IUPAC: 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 3.0037 indicates that 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole has 1 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 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole is 890602-69-4.
What is the molecular formula of 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole is C10H6F3N3O2.
What is the molecular weight of 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole is 257.04 g/mol.
Where can I buy 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-(4-nitrophenyl)-5-(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 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.