(4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
TL;DR: (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one (CAS 1164550-25-7) is a chemical compound with molecular formula C15H18N4O3 and molecular weight 302.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
Also Known As: (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one, (E)-4-((dimethylamino)methylene)-1-(4-nitrophenyl)-3-propyl-1H-pyrazol-5(4H)-one, (4E)-4-[(dimethylamino)methylene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one, 4-[1-Dimethylamino-meth-(E)-ylidene]-2-(4-nitro-phenyl)-5-propyl-2,4-dihydro-pyrazol-3-one
| Molecular Formula | C15H18N4O3 |
|---|---|
| Molecular Weight | 302.14 g/mol |
| LogP | 2.543 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.13788 |
| Heavy Atoms | 22 |
| Complexity | 647.25635 |
Chemical Identifiers
| CAS Number | 1164550-25-7 |
|---|---|
| SMILES | CCCC\1=NN(C(=O)/C1=C/N(C)C)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one (CAS 1164550-25-7), with molecular formula C15H18N4O3 and molecular weight 302.14 g/mol. IUPAC: (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one.
Chemical Property Profile of (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
Property Insights of (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
The XLogP value of 2.543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one. Following Lipinski's Rule of Five, (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one has 0 hydrogen bond donor(s) and 5 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-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
The CAS number of (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one is 1164550-25-7.
What is the molecular formula of (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
The molecular formula of (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one is C15H18N4O3.
What is the molecular weight of (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
The molecular weight of (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one is 302.14 g/mol.
Where can I buy (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
You can request a quote for (4E)-4-(dimethylaminomethylidene)-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-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.