![5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one structure](/static/products/4288/428831-06-5.webp)
5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one
TL;DR: 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one (CAS 428831-06-5) is a chemical compound with molecular formula C17H22N4O3 and molecular weight 330.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[C-methyl-N-(3-methylbutyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one, (4E)-5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one, 3-methyl-4-{[(3-methylbutyl)amino]ethylidene}-1-(4-nitrophenyl)-1,2-diazolin-5 -one, (4E)-5-methyl-4-{1-[(3-methylbutyl)amino]ethylidene}-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, 4-[(E)-1-(ISOPENTYLAMINO)ETHYLIDENE]-5-METHYL-2-(4-NITROPHENYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C17H22N4O3 |
|---|---|
| Molecular Weight | 330.17 g/mol |
| LogP | 3.23732 |
| Topological Polar Surface Area | 93.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.1692 |
| Heavy Atoms | 24 |
| Complexity | 813.35144 |
Chemical Identifiers
| CAS Number | 428831-06-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=NCCC(C)C)C |
Product Overview
5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one (CAS 428831-06-5), with molecular formula C17H22N4O3 and molecular weight 330.17 g/mol. IUPAC: 5-methyl-4-[C-methyl-N-(3-methylbutyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one
Property Insights of 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one
The XLogP value of 3.23732 indicates that 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one. Following Lipinski's Rule of Five, 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one has 1 hydrogen bond donor(s) and 4 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-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one?
The CAS number of 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one is 428831-06-5.
What is the molecular formula of 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one?
The molecular formula of 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one is C17H22N4O3.
What is the molecular weight of 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one?
The molecular weight of 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one is 330.17 g/mol.
Where can I buy 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one?
You can request a quote for 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)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-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-[1-(3-methylbutylamino)ethylidene]-2-(4-nitrophenyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.