5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
TL;DR: 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one (CAS 1025206-08-9) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Also Known As: 5-tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one, 3-(TERT-BUTYL)-1-METHYL-4-(2-THIENYLMETHYLENE)-2-PYRAZOLIN-5-ONE, 5-tert-butyl-2-methyl-4-(2-thienylmethylene)pyrazol-3-one, 2-methyl-5-tert-butyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one, 3-tert-butyl-1-methyl-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-5-one
Technical Specifications
| Molecular Formula | C13H16N2OS |
| Molecular Weight | 248.09833 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09833 Da |
| Heavy Atoms | 17 |
| Complexity | 393.0 |
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC=CS2)C |
| InChIKey | ZOICNEPCQWKRPY-UHFFFAOYSA-N |
Chemical Property Profile of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
Property Insights of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
The XLogP value of 3.0 indicates that 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one. Following Lipinski's Rule of Five, 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The CAS number of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 1025206-08-9.
What is the molecular formula of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular formula of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is C13H16N2OS.
What is the molecular weight of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
The molecular weight of 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one is 248.09833 g/mol.
Where can I buy 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
You can request a quote for 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)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-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 5-Tert-butyl-2-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.