N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
TL;DR: N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005679-34-4) is a chemical compound with molecular formula C16H20F3N3O and molecular weight 327.15585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Also Known As: N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide, N-(2-ADAMANTYL)-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXAMIDE, 1-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Technical Specifications
| Molecular Formula | C16H20F3N3O |
| Molecular Weight | 327.15585 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.15585 Da |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
| SMILES | CN1C(=CC(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)C(F)(F)F |
| InChIKey | HSESNQMHQHSAPN-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Property Insights of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
The XLogP value of 3.2 indicates that N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide 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 N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The CAS number of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005679-34-4.
What is the molecular formula of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular formula of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is C16H20F3N3O.
What is the molecular weight of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular weight of N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 327.15585 g/mol.
Where can I buy N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
You can request a quote for N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(2-adamantyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.