3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole (CAS 845266-32-2) is a chemical compound with molecular formula C11H7F3N2O2 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole, Maybridge1_005293, 3-(2H-1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole, 3-(Benzo[d][1,3]dioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole, 1H-Pyrazole,3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-
| Molecular Formula | C11H7F3N2O2 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 2.8242 |
| Topological Polar Surface Area | 47.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.04596 |
| Heavy Atoms | 18 |
| Complexity | 592.21454 |
Chemical Identifiers
| CAS Number | 845266-32-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(F)(F)F |
Product Overview
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole (CAS 845266-32-2), with molecular formula C11H7F3N2O2 and molecular weight 256.05 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 2.8242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 47.14 Ų, 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole has 1 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 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole is 845266-32-2.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole is C11H7F3N2O2.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole is 256.05 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-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-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.