3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole

C10H16F2N2S — CID 129092914

IUPAC3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cc(SC(F)F)nn1C
InChIInChI=1S/C10H16F2N2S/c1-5-10(2,3)7-6-8(13-14(7)4)15-9(11)12/h6,9H,5H2,1-4H3
InChIKeyNIQPMUXAUJJPRX-UHFFFAOYSA-N
MW234.31 g/mol
LogP3.42
Rot. Bonds4

About 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole

3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole (PubChem CID 129092914) has the molecular formula C10H16F2N2S and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
PubChem CID129092914
Molecular FormulaC10H16F2N2S
Molecular Weight234.31 g/mol
Exact Mass234.10
IUPAC Name3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cc(SC(F)F)nn1C
InChIInChI=1S/C10H16F2N2S/c1-5-10(2,3)7-6-8(13-14(7)4)15-9(11)12/h6,9H,5H2,1-4H3
InChIKeyNIQPMUXAUJJPRX-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole?
The IUPAC name of 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole (CID 129092914) is 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole?
The canonical SMILES for 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole is CCC(C)(C)c1cc(SC(F)F)nn1C.
What is the InChIKey of 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole?
The InChIKey is NIQPMUXAUJJPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2S/c1-5-10(2,3)7-6-8(13-14(7)4)15-9(11)12/h6,9H,5H2,1-4H3.
What are the key properties of 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole?
3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole has a molecular weight of 234.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 129092914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).