4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 171514-66-2) 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-[(2-nitrophenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-5-methyl-4-[(2-nitrophenyl)methylidene]-2-phenylpyrazol-3-one, 3-methyl-4-[(2-nitrophenyl)methylene]-1-phenyl-1,2-diazolin-5-one, (Z)-3-methyl-4-(2-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 | 171514-66-2 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one (CAS 171514-66-2), with molecular formula C17H13N3O3 and molecular weight 307.10 g/mol. IUPAC: (4Z)-5-methyl-4-[(2-nitrophenyl)methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 3.4009 indicates that 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-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-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-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-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 171514-66-2.
What is the molecular formula of 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is C17H13N3O3.
What is the molecular weight of 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one is 307.10 g/mol.
Where can I buy 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-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 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.