4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
TL;DR: 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile (CAS 1001519-32-9) is a chemical compound with molecular formula C12H9F3N4S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile, 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-trifluoromethyl-nicotinonitrile, 4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile, 4-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-2-SULFANYL-6-(TRIFLUOROMETHYL)-3-PYRIDYL CYANIDE
| Molecular Formula | C12H9F3N4S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.34359 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.05 |
| Heavy Atoms | 20 |
| Complexity | 764.47546 |
Chemical Identifiers
| CAS Number | 1001519-32-9 |
|---|---|
| SMILES | CC1=C(C=NN1C)C2=C(C(=S)NC(=C2)C(F)(F)F)C#N |
Product Overview
4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile (CAS 1001519-32-9), with molecular formula C12H9F3N4S and molecular weight 298.05 g/mol. IUPAC: 4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
Property Insights of 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
The XLogP value of 3.34359 indicates that 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile 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 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
The CAS number of 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is 1001519-32-9.
What is the molecular formula of 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
The molecular formula of 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is C12H9F3N4S.
What is the molecular weight of 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
The molecular weight of 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile is 298.05 g/mol.
Where can I buy 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
You can request a quote for 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.