3,5-Dimethyl-4-allylpyrazole
TL;DR: 3,5-Dimethyl-4-allylpyrazole (CAS 24475-45-4) 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-4-prop-2-enyl-1H-pyrazole
Also Known As: Isopyrazam Impurity 2, 3,5-Dimethyl-4-allylpyrazole, 4-Allyl-3,5-dimethyl-1H-pyrazole, 4-ALLYL-3,5-DIMETHYLPYRAZOLE, 4-Allyl-3,5-dimethyl-1H-pyrazole #
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 24475-45-4 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CC=C |
| InChIKey | QWUSIYGDHJDCEM-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-4-allylpyrazole (CAS 24475-45-4), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 3,5-dimethyl-4-prop-2-enyl-1H-pyrazole.
Chemical Property Profile of 3,5-Dimethyl-4-allylpyrazole
Property Insights of 3,5-Dimethyl-4-allylpyrazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-allylpyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 3,5-Dimethyl-4-allylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-allylpyrazole 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-Dimethyl-4-allylpyrazole?
The CAS number of 3,5-Dimethyl-4-allylpyrazole is 24475-45-4.
What is the molecular formula of 3,5-Dimethyl-4-allylpyrazole?
The molecular formula of 3,5-Dimethyl-4-allylpyrazole is C8H12N2.
What is the molecular weight of 3,5-Dimethyl-4-allylpyrazole?
The molecular weight of 3,5-Dimethyl-4-allylpyrazole is 136.10 g/mol.
Where can I buy 3,5-Dimethyl-4-allylpyrazole?
You can request a quote for 3,5-Dimethyl-4-allylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-allylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-allylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.