1-Allyl-3,5-dimethylpyrazole
TL;DR: 1-Allyl-3,5-dimethylpyrazole (CAS 13369-74-9) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-prop-2-enylpyrazole
Also Known As: 1-Allyl-3,5-dimethylpyrazole, 1-Allyl-3,5-dimethyl-1H-pyrazole, 3,5-dimethyl-1-prop-2-enylpyrazole, 1-ALLYL-3 5-DIMETHYLPYRAZOLE 96, PYRAZOLE, 1-ALLYL-3,5-DIMETHYL-
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 13369-74-9 |
|---|---|
| SMILES | CC1=CC(=NN1CC=C)C |
| InChIKey | NXAGTQRRYZTDKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Allyl-3,5-dimethylpyrazole (CAS 13369-74-9), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 3,5-dimethyl-1-prop-2-enylpyrazole.
Chemical Property Profile of 1-Allyl-3,5-dimethylpyrazole
Property Insights of 1-Allyl-3,5-dimethylpyrazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3,5-dimethylpyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-Allyl-3,5-dimethylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3,5-dimethylpyrazole 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-Allyl-3,5-dimethylpyrazole?
The CAS number of 1-Allyl-3,5-dimethylpyrazole is 13369-74-9.
What is the molecular formula of 1-Allyl-3,5-dimethylpyrazole?
The molecular formula of 1-Allyl-3,5-dimethylpyrazole is C8H12N2.
What is the molecular weight of 1-Allyl-3,5-dimethylpyrazole?
The molecular weight of 1-Allyl-3,5-dimethylpyrazole is 136.10 g/mol.
Where can I buy 1-Allyl-3,5-dimethylpyrazole?
You can request a quote for 1-Allyl-3,5-dimethylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-3,5-dimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3,5-dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.