1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride
TL;DR: 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride (CAS 160233-29-4) is a chemical compound with molecular formula C15H17ClN2O and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-tert-butylpyrazole-5-carbonyl chloride
Also Known As: 2-benzyl-5-tert-butylpyrazole-3-carbonyl chloride, 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride, 1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carbonyl chloride, 1-Benzyl-3-(tert-butyl)pyrazole-5-carbonyl chloride, 1-Benzyl-3-(tert-butyl)pyrazole-5-carbonylchloride
| Molecular Formula | C15H17ClN2O |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 3.6079 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.10294 |
| Heavy Atoms | 19 |
| Complexity | 581.9382 |
Chemical Identifiers
| CAS Number | 160233-29-4 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)Cl)CC2=CC=CC=C2 |
Product Overview
1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride (CAS 160233-29-4), with molecular formula C15H17ClN2O and molecular weight 276.10 g/mol. IUPAC: 1-benzyl-3-tert-butylpyrazole-5-carbonyl chloride.
Chemical Property Profile of 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride
Property Insights of 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride
The XLogP value of 3.6079 indicates that 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-tert-butyl-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-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride?
The CAS number of 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride is 160233-29-4.
What is the molecular formula of 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride?
The molecular formula of 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride is C15H17ClN2O.
What is the molecular weight of 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride?
The molecular weight of 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride is 276.10 g/mol.
Where can I buy 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride?
You can request a quote for 1-benzyl-3-tert-butyl-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-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.