4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one
TL;DR: 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one (CAS 1005613-67-1) is a chemical compound with molecular formula C10H12F2N2O2 and molecular weight 230.08669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one
Also Known As: 4-(1-ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one
Technical Specifications
| Molecular Formula | C10H12F2N2O2 |
| Molecular Weight | 230.08669 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.08669 Da |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| SMILES | CCN1C(=C(C=N1)C(=CC(=O)C(F)F)O)C |
| InChIKey | PAUKMOGAFITRMK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one
Property Insights of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one. With a topological polar surface area (TPSA) of 55.1 Ų, 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one?
The CAS number of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one is 1005613-67-1.
What is the molecular formula of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one?
The molecular formula of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one is C10H12F2N2O2.
What is the molecular weight of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one?
The molecular weight of 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one is 230.08669 g/mol.
Where can I buy 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one?
You can request a quote for 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(1-Ethyl-5-methylpyrazol-4-yl)-1,1-difluoro-4-hydroxybut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.