2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H10F3N5S — CID 79876803

IUPAC2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1cnn(C)c1
InChIInChI=1S/C11H10F3N5S/c1-19-5-6(4-17-19)20-10-7(9(15)16)2-3-8(18-10)11(12,13)14/h2-5H,1H3,(H3,15,16)
InChIKeyYQAFKVXTEJFIMY-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.27
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79876803) has the molecular formula C11H10F3N5S and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79876803
Molecular FormulaC11H10F3N5S
Molecular Weight301.30 g/mol
Exact Mass301.06
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1cnn(C)c1
InChIInChI=1S/C11H10F3N5S/c1-19-5-6(4-17-19)20-10-7(9(15)16)2-3-8(18-10)11(12,13)14/h2-5H,1H3,(H3,15,16)
InChIKeyYQAFKVXTEJFIMY-UHFFFAOYSA-N
XLogP2.27
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875370
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
CID 61385303
2-(3-chlorophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875519
2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875521
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057
2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877275
3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 107111032
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 81293289
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 81096071
4-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzenecarboximidamide
CID 116792854
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 104958902

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79876803) is 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is YQAFKVXTEJFIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5S/c1-19-5-6(4-17-19)20-10-7(9(15)16)2-3-8(18-10)11(12,13)14/h2-5H,1H3,(H3,15,16).
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 301.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79876803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).