![5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/3389/338975-78-3.webp)
5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-78-3) is a chemical compound with molecular formula C13H15N3O and molecular weight 229.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(4-methylphenyl)methyliminomethyl]-1,2-dihydropyrazol-3-one
Also Known As: 9B-131, 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 3-methyl-4-({[(4-methylphenyl)methyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, 3-methyl-4-[[(4-methylphenyl)methylamino]methylidene]-1H-pyrazol-5-one, 5-methyl-4-[(4-methylphenyl)methyliminomethyl]-1,2-dihydropyrazol-3-one
| Molecular Formula | C13H15N3O |
|---|---|
| Molecular Weight | 229.12 g/mol |
| LogP | 1.93894 |
| Topological Polar Surface Area | 61.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.1215 |
| Heavy Atoms | 17 |
| Complexity | 575.4572 |
Chemical Identifiers
| CAS Number | 338975-78-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN=CC2=C(NNC2=O)C |
Product Overview
5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one (CAS 338975-78-3), with molecular formula C13H15N3O and molecular weight 229.12 g/mol. IUPAC: 5-methyl-4-[(4-methylphenyl)methyliminomethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 1.93894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 61.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-methyl-4-{[(4-methylbenzyl)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-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 338975-78-3.
What is the molecular formula of 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is C13H15N3O.
What is the molecular weight of 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one is 229.12 g/mol.
Where can I buy 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 5-methyl-4-{[(4-methylbenzyl)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-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-{[(4-methylbenzyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.