3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole
TL;DR: 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole (CAS 243659-12-3) is a chemical compound with molecular formula C12H5F17N2 and molecular weight 500.01813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-methyl-1H-pyrazole
Also Known As: 5-Methyl-3-(perfluorooctyl)pyrazole, 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole, 3-(Perfluoro-n-octyl)-5-methylpyrazole, 5(3)-Methyl-3(5)-(perfluorooctyl)pyrazole, 3-(HEPTADECAFLUORO-1-OCTYL)-5-(METHYL)PYRAZOLE
Technical Specifications
| Molecular Formula | C12H5F17N2 |
| Molecular Weight | 500.01813 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.01813 Da |
| Heavy Atoms | 31 |
| Complexity | 667.0 |
| SMILES | CC1=CC(=NN1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | ZZAFDXWUOUYUMN-UHFFFAOYSA-N |
Chemical Property Profile of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole
Property Insights of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole
The XLogP value of 6.2 indicates that 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole?
The CAS number of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole is 243659-12-3.
What is the molecular formula of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole?
The molecular formula of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole is C12H5F17N2.
What is the molecular weight of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole?
The molecular weight of 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole is 500.01813 g/mol.
Where can I buy 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole?
You can request a quote for 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.