(Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one
TL;DR: (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one (CAS 1638124-95-4) is a chemical compound with molecular formula C17H13N3O3 and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-5-methyl-4-[(3-nitrophenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: 1-Phenyl-3-methyl-4-(3-nitrobenzylidene)-2-pyrazoline-5-one, 3-methyl-4-[(3-nitrophenyl)methylene]-1-phenyl-1,2-diazolin-5-one, 4-(3-Nitrobenzylidene)-1-phenyl-3-methyl-1H-pyrazol-5(4H)-one, (4Z)-5-methyl-4-[(3-nitrophenyl)methylidene]-2-phenylpyrazol-3-one, (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C17H13N3O3 |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 3.4009 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0957 |
| Heavy Atoms | 23 |
| Complexity | 841.17194 |
Chemical Identifiers
| CAS Number | 1638124-95-4 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
(Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one (CAS 1638124-95-4), with molecular formula C17H13N3O3 and molecular weight 307.10 g/mol. IUPAC: (4Z)-5-methyl-4-[(3-nitrophenyl)methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one
Property Insights of (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one
The XLogP value of 3.4009 indicates that (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-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 (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one. Following Lipinski's Rule of Five, (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-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 (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one?
The CAS number of (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one is 1638124-95-4.
What is the molecular formula of (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular formula of (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one is C17H13N3O3.
What is the molecular weight of (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one?
The molecular weight of (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one is 307.10 g/mol.
Where can I buy (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one?
You can request a quote for (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-methyl-4-(3-nitrobenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.