5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole

C11H10F2N2S — CID 54359689

IUPAC5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole
SMILESCSc1cc(-c2cc(F)ccc2F)n(C)n1
InChIInChI=1S/C11H10F2N2S/c1-15-10(6-11(14-15)16-2)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3
InChIKeyULPVSBRCDGBTML-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.09
Rot. Bonds2

About 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole

5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole (PubChem CID 54359689) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole
PubChem CID54359689
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole
SMILESCSc1cc(-c2cc(F)ccc2F)n(C)n1
InChIInChI=1S/C11H10F2N2S/c1-15-10(6-11(14-15)16-2)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3
InChIKeyULPVSBRCDGBTML-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethyl-3-phenylpyrazole
CID 139119
US11072617, Example 57M21
CID 138586081
1-(4-(methylthio)phenyl)-5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole
CID 44427625
4-(4-Fluorophenyl)-1,3,5-trimethylpyrazole
CID 102184445
1-methyl-3-phenyl-1H-pyrazole-5-sulfonyl chloride
CID 50896780
(NZ)-N-[1-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-phenylsulfanylethylidene]hydroxylamine
CID 136230106
(NZ)-N-[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethylidene]hydroxylamine
CID 136230150
(NZ)-N-[1-(1-methyl-3-phenylpyrazol-5-yl)-2-phenylsulfanylethylidene]hydroxylamine
CID 136230152
(NZ)-N-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-phenylsulfanylethylidene]hydroxylamine
CID 136230153
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909
1-[(3-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651141
1-Methyl-3-phenyl-5-trifluoromethyl-1H-pyrazole
CID 10489413

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole?
The IUPAC name of 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole (CID 54359689) is 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole is CSc1cc(-c2cc(F)ccc2F)n(C)n1.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole?
The InChIKey is ULPVSBRCDGBTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-15-10(6-11(14-15)16-2)8-5-7(12)3-4-9(8)13/h3-6H,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole?
5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole has a molecular weight of 240.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-methyl-3-methylsulfanylpyrazole is sourced from PubChem (CID 54359689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).