![2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/351/351163-10-5.png)
2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one (CAS 351163-10-5) is a chemical compound with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4-(2-phenylethyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one, A2616/0111277, 2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-5-propylpyrazol-3-one, (4E)-2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-5-propylpyrazol-3-one, (4Z)-2-(4-nitrophenyl)-4-[(phenethylamino)methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C21H22N4O3 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 3.6879 |
| Topological Polar Surface Area | 93.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.1692 |
| Heavy Atoms | 28 |
| Complexity | 1018.0543 |
Chemical Identifiers
| CAS Number | 351163-10-5 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCC3=CC=CC=C3 |
Product Overview
2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one (CAS 351163-10-5), with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol. IUPAC: 2-(4-nitrophenyl)-4-(2-phenylethyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 3.6879 indicates that 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-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 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-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 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one is 351163-10-5.
What is the molecular formula of 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one is C21H22N4O3.
What is the molecular weight of 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one is 378.17 g/mol.
Where can I buy 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-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 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)-4-{(E)-[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.