![1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole structure](/static/products/4930/493024-84-3.webp)
1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole
TL;DR: 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole (CAS 493024-84-3) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
Also Known As: 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole, 1-(1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole, 1-benzo[1,3]dioxol-5-yl-3,5-dimethyl-pyrazole, 1-(2H-1,3-benzodioxol-5-yl)-3,5-dimethyl-1H-pyrazole, 5-(3,5-dimethylpyrazolyl)-2H-benzo[d]1,3-dioxolane
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.21784 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 545.94696 |
Chemical Identifiers
| CAS Number | 493024-84-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC3=C(C=C2)OCO3)C |
Product Overview
1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole (CAS 493024-84-3), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole.
Chemical Property Profile of 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole
Property Insights of 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.21784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 36.28 Ų, 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole is 493024-84-3.
What is the molecular formula of 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole is C12H12N2O2.
What is the molecular weight of 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole is 216.09 g/mol.
Where can I buy 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(benzo[d][1,3]dioxol-5-yl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.