![4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3389/338975-71-6.webp)
4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-71-6) is a chemical compound with molecular formula C12H9ClF3N3O and molecular weight 303.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
Also Known As: 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 4-({[(4-chlorophenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(4-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one, (4Z)-4-[[(4-chlorophenyl)methylamino]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one, 4-[[(4-chlorophenyl)methylamino]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one
| Molecular Formula | C12H9ClF3N3O |
|---|---|
| Molecular Weight | 303.04 g/mol |
| LogP | 2.9943 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.03864 |
| Heavy Atoms | 20 |
| Complexity | 670.4914 |
Chemical Identifiers
| CAS Number | 338975-71-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CN=CC2=C(NNC2=O)C(F)(F)F)Cl |
Product Overview
4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-71-6), with molecular formula C12H9ClF3N3O and molecular weight 303.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.9943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-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-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-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-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 338975-71-6.
What is the molecular formula of 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C12H9ClF3N3O.
What is the molecular weight of 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 303.04 g/mol.
Where can I buy 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-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-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-chlorobenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.