![4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3389/338975-77-2.webp)
4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-77-2) is a chemical compound with molecular formula C12H12ClN3O and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyliminomethyl]-5-methyl-1,2-dihydropyrazol-3-one
Also Known As: 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(4-chlorophenyl)methyliminomethyl]-5-methyl-1,2-dihydropyrazol-3-one, 4-({[(4-chlorophenyl)methyl]amino}methylidene)-3-methyl-4,5-dihydro-1H-pyrazol-5-one, 4-[[(4-chlorophenyl)methylamino]methylidene]-3-methyl-1H-pyrazol-5-one, 4-[[(4-chlorophenyl)methylamino]methylidene]-5-methyl-2H-pyrazol-3-one
| Molecular Formula | C12H12ClN3O |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 2.28392 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0669 |
| Heavy Atoms | 17 |
| Complexity | 580.54333 |
Chemical Identifiers
| CAS Number | 338975-77-2 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C=NCC2=CC=C(C=C2)Cl |
Product Overview
4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-77-2), with molecular formula C12H12ClN3O and molecular weight 249.07 g/mol. IUPAC: 4-[(4-chlorophenyl)methyliminomethyl]-5-methyl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.28392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-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-methyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-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-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 338975-77-2.
What is the molecular formula of 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C12H12ClN3O.
What is the molecular weight of 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 249.07 g/mol.
Where can I buy 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-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-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(4-chlorobenzyl)amino]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.