1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride
TL;DR: 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride (CAS 175277-10-8) is a chemical compound with molecular formula C9H13ClN2O and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-methylpyrazole-3-carbonyl chloride
Also Known As: 1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE, 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride, 2-tert-butyl-5-methylpyrazole-3-carbonyl chloride, BUTTPARK 43\57-63, 2-tert-butyl-5-methyl-pyrazole-3-carbonyl chloride
| Molecular Formula | C9H13ClN2O |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 2.32552 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.07164 |
| Heavy Atoms | 13 |
| Complexity | 335.87418 |
Chemical Identifiers
| CAS Number | 175277-10-8 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(=O)Cl)C(C)(C)C |
Product Overview
1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride (CAS 175277-10-8), with molecular formula C9H13ClN2O and molecular weight 200.07 g/mol. IUPAC: 2-tert-butyl-5-methylpyrazole-3-carbonyl chloride.
Chemical Property Profile of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride
Property Insights of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride
The XLogP value of 2.32552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-3-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
Frequently Asked Questions
What is the CAS number of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride?
The CAS number of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride is 175277-10-8.
What is the molecular formula of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride?
The molecular formula of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride is C9H13ClN2O.
What is the molecular weight of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride?
The molecular weight of 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride is 200.07 g/mol.
Where can I buy 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride?
You can request a quote for 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-3-methyl-1H-pyrazole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.