2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile
TL;DR: 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile (CAS 1001500-48-6) is a chemical compound with molecular formula C7H6F3N3 and molecular weight 189.05138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile
Also Known As: 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile, 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetonitrile, (5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetonitrile, 2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethanenitrile, 5-Methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetonitrile
Technical Specifications
| Molecular Formula | C7H6F3N3 |
| Molecular Weight | 189.05138 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.05138 Da |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
| SMILES | CC1=CC(=NN1CC#N)C(F)(F)F |
| InChIKey | GNUKBYNNCXPBDK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile
Property Insights of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 41.6 Ų, 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile has 0 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 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile?
The CAS number of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile is 1001500-48-6.
What is the molecular formula of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile?
The molecular formula of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile is C7H6F3N3.
What is the molecular weight of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile?
The molecular weight of 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile is 189.05138 g/mol.
Where can I buy 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile?
You can request a quote for 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.