![4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3387/338777-71-2.webp)
4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338777-71-2) is a chemical compound with molecular formula C11H8F3N3O and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
Also Known As: 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 4-({[2-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 4-[[2-(trifluoromethyl)anilino]methylidene]-1H-pyrazol-5-one, (4Z)-4-[[2-(trifluoromethyl)anilino]methylidene]-1H-pyrazol-5-one, 4-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
| Molecular Formula | C11H8F3N3O |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 2.4724 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.06195 |
| Heavy Atoms | 18 |
| Complexity | 624.7039 |
Chemical Identifiers
| CAS Number | 338777-71-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N=CC2=CNNC2=O |
Product Overview
4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338777-71-2), with molecular formula C11H8F3N3O and molecular weight 255.06 g/mol. IUPAC: 4-[[2-(trifluoromethyl)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.4724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 61.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one has 2 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 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 338777-71-2.
What is the molecular formula of 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one is C11H8F3N3O.
What is the molecular weight of 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 255.06 g/mol.
Where can I buy 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.