1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-
TL;DR: 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- (CAS 15803-52-8) is a chemical compound with molecular formula C10H18N2 and molecular weight 166.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-propan-2-yl-1H-pyrazole
Also Known As: 3-t-butyl-5-isopropylpyrazole, 3-tert-butyl-5-propan-2-yl-1H-pyrazole, 3-(tert-Butyl)-5-isopropyl-1H-pyrazole, 3-Isopropyl-5-tert-butyl-1H-pyrazole, 3-tert-Butyl-5-isopropyl-1H-pyrazole
| Molecular Formula | C10H18N2 |
|---|---|
| Molecular Weight | 166.15 g/mol |
| LogP | 2.8306 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.147 |
| Heavy Atoms | 12 |
| Complexity | 253.04745 |
Chemical Identifiers
| CAS Number | 15803-52-8 |
|---|---|
| SMILES | CC(C)C1=CC(=NN1)C(C)(C)C |
Product Overview
1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- (CAS 15803-52-8), with molecular formula C10H18N2 and molecular weight 166.15 g/mol. IUPAC: 3-tert-butyl-5-propan-2-yl-1H-pyrazole.
Chemical Property Profile of 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-
Property Insights of 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-
The XLogP value of 2.8306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-. With a topological polar surface area (TPSA) of 28.68 Ų, 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- has 1 hydrogen bond donor(s) and 1 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 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-?
The CAS number of 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- is 15803-52-8.
What is the molecular formula of 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-?
The molecular formula of 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- is C10H18N2.
What is the molecular weight of 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-?
The molecular weight of 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- is 166.15 g/mol.
Where can I buy 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-?
You can request a quote for 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.