![4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3389/338975-72-7.webp)
4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-72-7) is a chemical compound with molecular formula C13H12F3N3O2 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
Also Known As: 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 4-({[(4-methoxyphenyl)methyl]amino}methylidene)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(4-methoxyphenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one, (4Z)-4-[[(4-methoxyphenyl)methylamino]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one, 4-[[(4-methoxyphenyl)methylamino]methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one
| Molecular Formula | C13H12F3N3O2 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 2.3495 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.08817 |
| Heavy Atoms | 21 |
| Complexity | 683.9224 |
Chemical Identifiers
| CAS Number | 338975-72-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN=CC2=C(NNC2=O)C(F)(F)F |
Product Overview
4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-72-7), with molecular formula C13H12F3N3O2 and molecular weight 299.09 g/mol. IUPAC: 4-[(4-methoxyphenyl)methyliminomethyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.3495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-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 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 338975-72-7.
What is the molecular formula of 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C13H12F3N3O2.
What is the molecular weight of 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 299.09 g/mol.
Where can I buy 4-{[(4-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{[(4-methoxybenzyl)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-methoxybenzyl)amino]methylene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-methoxybenzyl)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.