3-tert-butyl-1H-pyrazole
TL;DR: 3-tert-butyl-1H-pyrazole (CAS 15802-80-9) is a chemical compound with molecular formula C7H12N2 and molecular weight 124.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-1H-pyrazole
Also Known As: 3-tert-butyl-1H-pyrazole, 3-(tert-butyl)pyrazole, 5-tert-butyl-1H-pyrazole, 3-(tert-butyl)-1H-pyrazole, 3(5)-t-Butylpyrazole
| Molecular Formula | C7H12N2 |
|---|---|
| Molecular Weight | 124.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.10005 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 15802-80-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=NN1 |
| InChIKey | YIDCITOHTLPMMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-tert-butyl-1H-pyrazole (CAS 15802-80-9), with molecular formula C7H12N2 and molecular weight 124.10 g/mol. IUPAC: 5-tert-butyl-1H-pyrazole.
Chemical Property Profile of 3-tert-butyl-1H-pyrazole
Property Insights of 3-tert-butyl-1H-pyrazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-butyl-1H-pyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3-tert-butyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-butyl-1H-pyrazole 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-tert-butyl-1H-pyrazole?
The CAS number of 3-tert-butyl-1H-pyrazole is 15802-80-9.
What is the molecular formula of 3-tert-butyl-1H-pyrazole?
The molecular formula of 3-tert-butyl-1H-pyrazole is C7H12N2.
What is the molecular weight of 3-tert-butyl-1H-pyrazole?
The molecular weight of 3-tert-butyl-1H-pyrazole is 124.10 g/mol.
Where can I buy 3-tert-butyl-1H-pyrazole?
You can request a quote for 3-tert-butyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-butyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.