![5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3383/338394-40-4.webp)
5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338394-40-4) is a chemical compound with molecular formula C12H10F3N3O2 and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one
Also Known As: 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 2C-089, 3-methyl-4-({[4-(trifluoromethoxy)phenyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 3-methyl-4-[[4-(trifluoromethoxy)anilino]methylidene]-1H-pyrazol-5-one, (4E)-3-methyl-4-[[4-(trifluoromethoxy)anilino]methylidene]-1H-pyrazol-5-one
| Molecular Formula | C12H10F3N3O2 |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.66062 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0725 |
| Heavy Atoms | 20 |
| Complexity | 668.4914 |
Chemical Identifiers
| CAS Number | 338394-40-4 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C=NC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338394-40-4), with molecular formula C12H10F3N3O2 and molecular weight 285.07 g/mol. IUPAC: 5-methyl-4-[[4-(trifluoromethoxy)phenyl]iminomethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.66062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one has 2 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 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 338394-40-4.
What is the molecular formula of 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one is C12H10F3N3O2.
What is the molecular weight of 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 285.07 g/mol.
Where can I buy 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-methyl-4-{[4-(trifluoromethoxy)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 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-{[4-(trifluoromethoxy)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.