1,3,5-Trimethylpyrazole
TL;DR: 1,3,5-Trimethylpyrazole (CAS 1072-91-9) is a chemical compound with molecular formula C6H10N2 and molecular weight 110.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethylpyrazole
Also Known As: 1,3,5-TRIMETHYLPYRAZOLE, 1,3,5-Trimethyl-1H-pyrazole, 1H-Pyrazole, 1,3,5-trimethyl-, Pyrazole, 1,3,5-trimethyl-, akos pao-1133
| Molecular Formula | C6H10N2 |
|---|---|
| Molecular Weight | 110.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.0844 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 1072-91-9 |
|---|---|
| SMILES | CC1=CC(=NN1C)C |
| InChIKey | HNOQAFMOBRWDKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Trimethylpyrazole (CAS 1072-91-9), with molecular formula C6H10N2 and molecular weight 110.08 g/mol. IUPAC: 1,3,5-trimethylpyrazole.
Chemical Property Profile of 1,3,5-Trimethylpyrazole
Property Insights of 1,3,5-Trimethylpyrazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Trimethylpyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1,3,5-Trimethylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Trimethylpyrazole has 0 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 1,3,5-Trimethylpyrazole?
The CAS number of 1,3,5-Trimethylpyrazole is 1072-91-9.
What is the molecular formula of 1,3,5-Trimethylpyrazole?
The molecular formula of 1,3,5-Trimethylpyrazole is C6H10N2.
What is the molecular weight of 1,3,5-Trimethylpyrazole?
The molecular weight of 1,3,5-Trimethylpyrazole is 110.08 g/mol.
Where can I buy 1,3,5-Trimethylpyrazole?
You can request a quote for 1,3,5-Trimethylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Trimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.