1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
TL;DR: 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318284-67-2) is a chemical compound with molecular formula C9H6F3N3O and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-prop-2-ynoxy-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: 5F-374S, 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 1-methyl-5-prop-2-ynoxy-3-(trifluoromethyl)pyrazole-4-carbonitrile, 1-methyl-5-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 1-methyl-5-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)pyrazole-4-carbonitrile
| Molecular Formula | C9H6F3N3O |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 1.32258 |
| Topological Polar Surface Area | 50.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.0463 |
| Heavy Atoms | 16 |
| Complexity | 475.90448 |
Chemical Identifiers
| CAS Number | 318284-67-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)OCC#C |
Product Overview
1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318284-67-2), with molecular formula C9H6F3N3O and molecular weight 229.05 g/mol. IUPAC: 1-methyl-5-prop-2-ynoxy-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Property Insights of 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.32258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 50.84 Ų, 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile 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-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 318284-67-2.
What is the molecular formula of 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is C9H6F3N3O.
What is the molecular weight of 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 229.05 g/mol.
Where can I buy 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-(2-propynyloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.