![(4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one structure](/static/products/3719/371956-84-2.webp)
(4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one
TL;DR: (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one (CAS 371956-84-2) is a chemical compound with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one
Also Known As: (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one, 4-[2-(4-Acetylpiperazin-1-yl)ethyliminomethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one, (E)-4-(((2-(4-acetylpiperazin-1-yl)ethyl)amino)methylene)-1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5(4H)-one, (4E)-4-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one
| Molecular Formula | C21H28N6O4 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 1.6093 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.2172 |
| Heavy Atoms | 31 |
| Complexity | 999.86755 |
Chemical Identifiers
| CAS Number | 371956-84-2 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCN3CCN(CC3)C(=O)C |
Product Overview
(4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one (CAS 371956-84-2), with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol. IUPAC: 4-[2-(4-acetylpiperazin-1-yl)ethyliminomethyl]-2-(4-nitrophenyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one
Property Insights of (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one
The XLogP value of 1.6093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one. Following Lipinski's Rule of Five, (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one has 1 hydrogen bond donor(s) and 6 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 (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
The CAS number of (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one is 371956-84-2.
What is the molecular formula of (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
The molecular formula of (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one is C21H28N6O4.
What is the molecular weight of (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
The molecular weight of (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one is 428.22 g/mol.
Where can I buy (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
You can request a quote for (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.