3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride
TL;DR: 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride (CAS 160842-62-6) is a chemical compound with molecular formula C9H13ClN2O and molecular weight 200.07164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butyl-1-methylpyrazole-5-carbonyl chloride
Also Known As: 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride, 5-tert-butyl-2-methylpyrazole-3-carbonyl chloride, 3-tert-butyl-1-methyl-1h-pyrazole-5-carbonyl chloride, 3-(tert-butyl)-1-methylpyrazole-5-carbonylchloride, J1.048.908C
Technical Specifications
| Molecular Formula | C9H13ClN2O |
| Molecular Weight | 200.07164 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.07164 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)Cl)C |
| InChIKey | SJGURXGUNLVMAQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride
Property Insights of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride. With a topological polar surface area (TPSA) of 34.9 Ų, 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride?
The CAS number of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride is 160842-62-6.
What is the molecular formula of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride?
The molecular formula of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride is C9H13ClN2O.
What is the molecular weight of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride?
The molecular weight of 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride is 200.07164 g/mol.
Where can I buy 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride?
You can request a quote for 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride?
Yes, CoreyChem provides custom synthesis services for 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carbonyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.