![2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile structure](/static/products/1005/1005611-24-4.webp)
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CAS 1005611-24-4) is a chemical compound with molecular formula C20H16F3N5O3S and molecular weight 463.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)METHYL]SULFANYL}-4-(4-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-3-PYRIDYL CYANIDE, 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C20H16F3N5O3S |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | 5.11902 |
| Topological Polar Surface Area | 106.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.0926 |
| Heavy Atoms | 32 |
| Complexity | 1217.189 |
Chemical Identifiers
| CAS Number | 1005611-24-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CSC2=C(C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC)C#N)C)[N+](=O)[O-] |
Product Overview
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CAS 1005611-24-4), with molecular formula C20H16F3N5O3S and molecular weight 463.09 g/mol. IUPAC: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 5.11902 indicates that 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is 1005611-24-4.
What is the molecular formula of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is C20H16F3N5O3S.
What is the molecular weight of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is 463.09 g/mol.
Where can I buy 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.