![4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one structure](/static/products/5852/5852-97-1.webp)
4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
TL;DR: 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (CAS 5852-97-1) is a chemical compound with molecular formula C17H12ClN3O3 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
Also Known As: 1-Butanaminium, 4-ethoxy-2-hydroxy-N,N,N-trimethyl-4-oxo-, chloride, 4-[(2-chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one, Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, ethyl ester, (4E)-4-[(2-chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
| Molecular Formula | C17H12ClN3O3 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 4.0543 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.05673 |
| Heavy Atoms | 24 |
| Complexity | 888.20874 |
Chemical Identifiers
| CAS Number | 5852-97-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC=CC=C2Cl)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (CAS 5852-97-1), with molecular formula C17H12ClN3O3 and molecular weight 341.06 g/mol. IUPAC: 4-[(2-chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one.
Chemical Property Profile of 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
Property Insights of 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
The XLogP value of 4.0543 indicates that 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one. Following Lipinski's Rule of Five, 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one has 0 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 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The CAS number of 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is 5852-97-1.
What is the molecular formula of 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The molecular formula of 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is C17H12ClN3O3.
What is the molecular weight of 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
The molecular weight of 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one is 341.06 g/mol.
Where can I buy 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
You can request a quote for 4-[(2-Chlorophenyl)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 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chlorophenyl)methylidene]-5-methyl-2-(4-nitrophenyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.