3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide

C11H10F2N4S — CID 81293289

IUPAC3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2cnn(C)c2)c(F)c1
InChIInChI=1S/C11H10F2N4S/c1-17-5-7(4-16-17)18-10-8(12)2-6(11(14)15)3-9(10)13/h2-5H,1H3,(H3,14,15)
InChIKeyUXOGCAYHBZQLJH-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.13
Rot. Bonds3

About 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide

3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide (PubChem CID 81293289) has the molecular formula C11H10F2N4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
PubChem CID81293289
Molecular FormulaC11H10F2N4S
Molecular Weight268.29 g/mol
Exact Mass268.06
IUPAC Name3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Sc2cnn(C)c2)c(F)c1
InChIInChI=1S/C11H10F2N4S/c1-17-5-7(4-16-17)18-10-8(12)2-6(11(14)15)3-9(10)13/h2-5H,1H3,(H3,14,15)
InChIKeyUXOGCAYHBZQLJH-UHFFFAOYSA-N
XLogP2.13
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 55240251
3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 107111032
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81294523
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293880
3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 81293390
3,5-difluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 115383047
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81293385
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
CID 61385303
2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876803
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
CID 107666557
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
2,2-dimethyl-4-(1-methylpyrazol-4-yl)sulfanylbutanimidamide
CID 65251976

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide (CID 81293289) is 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Sc2cnn(C)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
The InChIKey is UXOGCAYHBZQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4S/c1-17-5-7(4-16-17)18-10-8(12)2-6(11(14)15)3-9(10)13/h2-5H,1H3,(H3,14,15).
What are the key properties of 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide?
3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide has a molecular weight of 268.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 81293289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).