3,5-Di-t-butylpyrazole
TL;DR: 3,5-Di-t-butylpyrazole (CAS 1132-14-5) is a chemical compound with molecular formula C11H20N2 and molecular weight 180.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butyl-1H-pyrazole
Also Known As: 3,5-di-tert-butyl-1H-pyrazole, 3,5-Di-t-butylpyrazole, 3,5-Ditert-butyl-1H-pyrazole, 3,5-di-tert-butylpyrazole, 5-P-Methylphenyl-1H-tetrazole
| Molecular Formula | C11H20N2 |
|---|---|
| Molecular Weight | 180.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.16264 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 1132-14-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1)C(C)(C)C |
| InChIKey | UEQDCVLVDQENIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Di-t-butylpyrazole (CAS 1132-14-5), with molecular formula C11H20N2 and molecular weight 180.16 g/mol. IUPAC: 3,5-ditert-butyl-1H-pyrazole.
Chemical Property Profile of 3,5-Di-t-butylpyrazole
Property Insights of 3,5-Di-t-butylpyrazole
The XLogP value of 3.6 indicates that 3,5-Di-t-butylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 3,5-Di-t-butylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-t-butylpyrazole 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 3,5-Di-t-butylpyrazole?
The CAS number of 3,5-Di-t-butylpyrazole is 1132-14-5.
What is the molecular formula of 3,5-Di-t-butylpyrazole?
The molecular formula of 3,5-Di-t-butylpyrazole is C11H20N2.
What is the molecular weight of 3,5-Di-t-butylpyrazole?
The molecular weight of 3,5-Di-t-butylpyrazole is 180.16 g/mol.
Where can I buy 3,5-Di-t-butylpyrazole?
You can request a quote for 3,5-Di-t-butylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-t-butylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-t-butylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.