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5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one structure
Fine Chemical

5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one

TL;DR: 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one (CAS 1024741-09-0) is a chemical compound with molecular formula C24H22F4N2O2 and molecular weight 446.16174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one

Also Known As: 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one, 3-(TERT-BUTYL)-4-(3-(4-METHOXYPHENYL)PROP-2-ENYLIDENE)-1-(2,3,5,6-TETRAFLUORO-4-METHYLPHENYL)-2-PYRAZOLIN-5-ONE, (Z)-3-tert-butyl-4-((E)-3-(4-methoxyphenyl)allylidene)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-1H-pyrazol-5(4H)-one, 3-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-en-1-ylidene]-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one, 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methyl-phenyl)pyrazol-3-one

CAS Number
1024741-09-0
Molecular Formula
C24H22F4N2O2
Molecular Weight
446.16174 g/mol
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Technical Specifications

Molecular FormulaC24H22F4N2O2
Molecular Weight446.16174 g/mol
XLogP6.2
Topological Polar Surface Area (TPSA)41.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds5
Exact Mass446.16174 Da
Heavy Atoms32
Complexity767.0
SMILESCC1=C(C(=C(C(=C1F)F)N2C(=O)C(=CC=CC3=CC=C(C=C3)OC)C(=N2)C(C)(C)C)F)F
InChIKeyWGUNSZPAACSIAQ-UHFFFAOYSA-N

Chemical Property Profile of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one

XLogP
6.2
TPSA (Topological Polar Surface Area)
41.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
5
Heavy Atoms
32
Complexity
767.0
Exact Mass
446.16174
Monoisotopic Mass
446.16174
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one

The XLogP value of 6.2 indicates that 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one?

The CAS number of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is 1024741-09-0.

What is the molecular formula of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one?

The molecular formula of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is C24H22F4N2O2.

What is the molecular weight of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one?

The molecular weight of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is 446.16174 g/mol.

Where can I buy 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one?

You can request a quote for 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one?

Yes, CoreyChem provides custom synthesis services for 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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