5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole
TL;DR: 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole (CAS 1046463-05-1) is a chemical compound with molecular formula C14H17F3N2 and molecular weight 270.13437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-adamantyl)-3-(trifluoromethyl)-1H-pyrazole
Also Known As: 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole, 5-(Adamantan-1-yl)-3-(trifluoromethyl)-1H-pyrazole, 5-(1-adamantyl)-3-(trifluoromethyl)-1H-pyrazole, 5-adamantanyl-3-(trifluoromethyl)pyrazole, 3-(Adamantan-1-yl)-5-(trifluoromethyl)-1H-pyrazole
Technical Specifications
| Molecular Formula | C14H17F3N2 |
| Molecular Weight | 270.13437 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.13437 Da |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(F)(F)F |
| InChIKey | HRJUBPDQLPHDKZ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole
Property Insights of 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole
The XLogP value of 4.0 indicates that 5-Adamantan-1-yl-3-trifluoromethyl-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, 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole has 1 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 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole?
The CAS number of 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole is 1046463-05-1.
What is the molecular formula of 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole?
The molecular formula of 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole is C14H17F3N2.
What is the molecular weight of 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole?
The molecular weight of 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole is 270.13437 g/mol.
Where can I buy 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole?
You can request a quote for 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 5-Adamantan-1-yl-3-trifluoromethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.