N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
TL;DR: N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 515176-33-7) is a chemical compound with molecular formula C16H20F3N3O and molecular weight 327.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
Also Known As: N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide, N-(2-adamantyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, N~5~-(2-ADAMANTYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, 1-methyl-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C16H20F3N3O |
|---|---|
| Molecular Weight | 327.16 g/mol |
| LogP | 2.9934 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.15585 |
| Heavy Atoms | 23 |
| Complexity | 609.00525 |
Chemical Identifiers
| CAS Number | 515176-33-7 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(F)(F)F)C(=O)NC2C3CC4CC(C3)CC2C4 |
Product Overview
N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 515176-33-7), with molecular formula C16H20F3N3O and molecular weight 327.16 g/mol. IUPAC: N-(2-adamantyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
Chemical Property Profile of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
Property Insights of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
The XLogP value of 2.9934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-(2-adamantyl)-2-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)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The CAS number of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 515176-33-7.
What is the molecular formula of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular formula of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is C16H20F3N3O.
What is the molecular weight of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The molecular weight of N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is 327.16 g/mol.
Where can I buy N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
You can request a quote for N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.