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3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole
TL;DR: 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole (CAS 400083-14-9) is a chemical compound with molecular formula C16H10F3N3O2 and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenylpyrazole
Also Known As: 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole, 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenylpyrazole, 5E-717
| Molecular Formula | C16H10F3N3O2 |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 4.4663 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0725 |
| Heavy Atoms | 24 |
| Complexity | 889.0833 |
Chemical Identifiers
| CAS Number | 400083-14-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC(=N2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole (CAS 400083-14-9), with molecular formula C16H10F3N3O2 and molecular weight 333.07 g/mol. IUPAC: 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenylpyrazole.
Chemical Property Profile of 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole
Property Insights of 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole
The XLogP value of 4.4663 indicates that 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-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 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole. Following Lipinski's Rule of Five, 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-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 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole?
The CAS number of 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole is 400083-14-9.
What is the molecular formula of 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole?
The molecular formula of 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole is C16H10F3N3O2.
What is the molecular weight of 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole?
The molecular weight of 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole is 333.07 g/mol.
Where can I buy 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole?
You can request a quote for 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-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-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-nitro-4-(trifluoromethyl)phenyl]-1-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.