![(4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one structure](/static/products/3526/352693-98-2.webp)
(4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
TL;DR: (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (CAS 352693-98-2) is a chemical compound with molecular formula C24H32N6O4 and molecular weight 468.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, 4-[({2-[4-(cyclopentylacetyl)-1-piperazinyl]ethyl}amino)methylene]-2-{4-nitrophenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[({2-[4-(cyclopentylacetyl)piperazin-1-yl]ethyl}amino)methylidene]-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, 4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
| Molecular Formula | C24H32N6O4 |
|---|---|
| Molecular Weight | 468.25 g/mol |
| LogP | 2.52562 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.2485 |
| Heavy Atoms | 34 |
| Complexity | 1089.6567 |
Chemical Identifiers
| CAS Number | 352693-98-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCN3CCN(CC3)C(=O)CC4CCCC4 |
Product Overview
(4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (CAS 352693-98-2), with molecular formula C24H32N6O4 and molecular weight 468.25 g/mol. IUPAC: 4-[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethyliminomethyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
Property Insights of (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
The XLogP value of 2.52562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-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-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The CAS number of (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is 352693-98-2.
What is the molecular formula of (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The molecular formula of (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is C24H32N6O4.
What is the molecular weight of (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The molecular weight of (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is 468.25 g/mol.
Where can I buy (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
You can request a quote for (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-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 (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[[2-[4-(2-cyclopentylacetyl)piperazin-1-yl]ethylamino]methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.