![5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/4778/477850-64-9.webp)
5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one (CAS 477850-64-9) is a chemical compound with molecular formula C13H9F6N3O and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1,2-dihydropyrazol-3-one
Also Known As: 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one, 3-(trifluoromethyl)-4-[({[3-(trifluoromethyl)phenyl]methyl}amino)methylidene]-4,5-dihydro-1H-pyrazol-5-one, 5-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1,2-dihydropyrazol-3-one, (4E)-3-(trifluoromethyl)-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1H-pyrazol-5-one, (4Z)-3-(trifluoromethyl)-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1H-pyrazol-5-one
| Molecular Formula | C13H9F6N3O |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 3.3597 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.06497 |
| Heavy Atoms | 23 |
| Complexity | 768.9927 |
Chemical Identifiers
| CAS Number | 477850-64-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN=CC2=C(NNC2=O)C(F)(F)F |
Product Overview
5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one (CAS 477850-64-9), with molecular formula C13H9F6N3O and molecular weight 337.06 g/mol. IUPAC: 5-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.3597 indicates that 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}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 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one is 477850-64-9.
What is the molecular formula of 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one is C13H9F6N3O.
What is the molecular weight of 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one is 337.06 g/mol.
Where can I buy 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}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 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(trifluoromethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.