3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
TL;DR: 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (CAS 845266-33-3) is a chemical compound with molecular formula C12H11F3N2O2 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
Also Known As: 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Maybridge1_005119, 3- -5- -1H-PYRAZOLE, 1-Phenyl-4-amino-5-chloro-6-pyridazone, 1H-Pyrazole,3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-
| Molecular Formula | C12H11F3N2O2 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.1127 |
| Topological Polar Surface Area | 47.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07727 |
| Heavy Atoms | 19 |
| Complexity | 578.59375 |
Chemical Identifiers
| CAS Number | 845266-33-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=C2)C(F)(F)F)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole (CAS 845266-33-3), with molecular formula C12H11F3N2O2 and molecular weight 272.08 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
Property Insights of 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
The XLogP value of 3.1127 indicates that 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.14 Ų, 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-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-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The CAS number of 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is 845266-33-3.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is C12H11F3N2O2.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole is 272.08 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-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-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.