5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole
TL;DR: 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole (CAS 318951-44-9) is a chemical compound with molecular formula C14H11F3N2O and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-phenyl-4-prop-2-ynoxy-3-(trifluoromethyl)pyrazole
Also Known As: 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole, 7G-395S, 5-methyl-1-phenyl-4-prop-2-ynoxy-3-(trifluoromethyl)pyrazole, 5-methyl-1-phenyl-4-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole, 5-methyl-1-phenyl-4-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)pyrazole
| Molecular Formula | C14H11F3N2O |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 3.21152 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08234 |
| Heavy Atoms | 20 |
| Complexity | 638.9191 |
Chemical Identifiers
| CAS Number | 318951-44-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C(F)(F)F)OCC#C |
Product Overview
5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole (CAS 318951-44-9), with molecular formula C14H11F3N2O and molecular weight 280.08 g/mol. IUPAC: 5-methyl-1-phenyl-4-prop-2-ynoxy-3-(trifluoromethyl)pyrazole.
Chemical Property Profile of 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole
Property Insights of 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole
The XLogP value of 3.21152 indicates that 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 2 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 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole?
The CAS number of 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole is 318951-44-9.
What is the molecular formula of 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole?
The molecular formula of 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole is C14H11F3N2O.
What is the molecular weight of 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole?
The molecular weight of 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole is 280.08 g/mol.
Where can I buy 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole?
You can request a quote for 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(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 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-1-phenyl-4-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.