1-Methyl-3-t-butylpyrazole
TL;DR: 1-Methyl-3-t-butylpyrazole (CAS 141665-16-9) is a chemical compound with molecular formula C8H14N2 and molecular weight 138.11569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butyl-1-methylpyrazole
Also Known As: 1-Methyl-3-t-butylpyrazole, 3-tert-butyl-1-methylpyrazole, 3-tert-butyl-1-methyl-1H-pyrazole, 3-(tert-butyl)-1-methyl-1h-pyrazole, 1-methyl-3-tert-butylpyrazole
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.11569 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.11569 Da |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
| SMILES | CC(C)(C)C1=NN(C=C1)C |
| InChIKey | LWFMELWSMBFNST-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-3-t-butylpyrazole
Property Insights of 1-Methyl-3-t-butylpyrazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-t-butylpyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-Methyl-3-t-butylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-t-butylpyrazole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-3-t-butylpyrazole?
The CAS number of 1-Methyl-3-t-butylpyrazole is 141665-16-9.
What is the molecular formula of 1-Methyl-3-t-butylpyrazole?
The molecular formula of 1-Methyl-3-t-butylpyrazole is C8H14N2.
What is the molecular weight of 1-Methyl-3-t-butylpyrazole?
The molecular weight of 1-Methyl-3-t-butylpyrazole is 138.11569 g/mol.
Where can I buy 1-Methyl-3-t-butylpyrazole?
You can request a quote for 1-Methyl-3-t-butylpyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-3-t-butylpyrazole?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-3-t-butylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.