5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 321848-40-2) is a chemical compound with molecular formula C7H6F3N3O and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
Also Known As: 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile, 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile, 10K-400S, methoxymethyltrifluoromethylpyrazolecarbonitrile, 4-Cyano-5-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
| Molecular Formula | C7H6F3N3O |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 1.31918 |
| Topological Polar Surface Area | 50.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0463 |
| Heavy Atoms | 14 |
| Complexity | 388.1099 |
Chemical Identifiers
| CAS Number | 321848-40-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)OC |
Product Overview
5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 321848-40-2), with molecular formula C7H6F3N3O and molecular weight 205.05 g/mol. IUPAC: 5-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
The XLogP value of 1.31918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile. With a topological polar surface area (TPSA) of 50.84 Ų, 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-1-methyl-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 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 321848-40-2.
What is the molecular formula of 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is C7H6F3N3O.
What is the molecular weight of 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is 205.05 g/mol.
Where can I buy 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-Methoxy-1-methyl-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 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.