3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one
TL;DR: 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one (CAS 132603-48-6) is a chemical compound with molecular formula C17H13N3O3 and molecular weight 307.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: NCI60_005700, 3-METHYL-4-((4-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE, 5-methyl-4-[(4-nitrophenyl)methylene]-2-phenyl-pyrazol-3-one, 5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazol-3-one, 4-(4-nitrobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
Technical Specifications
| Molecular Formula | C17H13N3O3 |
| Molecular Weight | 307.0957 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.0957 Da |
| Heavy Atoms | 23 |
| Complexity | 536.0 |
| SMILES | CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | PPHQWNUDYSYGAC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one
Property Insights of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one
The XLogP value of 3.2 indicates that 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one. Following Lipinski's Rule of Five, 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-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
What is the CAS number of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one?
The CAS number of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one is 132603-48-6.
What is the molecular formula of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one?
The molecular formula of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one is C17H13N3O3.
What is the molecular weight of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one?
The molecular weight of 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one is 307.0957 g/mol.
Where can I buy 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one?
You can request a quote for 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-4-((4-nitrophenyl)methylene)-1-phenyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.