3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole

C6H8F2N2S — CID 170134097

IUPAC3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1cc(C(F)F)nn1C
InChIInChI=1S/C6H8F2N2S/c1-10-5(11-2)3-4(9-10)6(7)8/h3,6H,1-2H3
InChIKeyBEEIROJIGDWHII-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.08
Rot. Bonds2

About 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole

3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole (PubChem CID 170134097) has the molecular formula C6H8F2N2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole
PubChem CID170134097
Molecular FormulaC6H8F2N2S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC Name3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole
SMILESCSc1cc(C(F)F)nn1C
InChIInChI=1S/C6H8F2N2S/c1-10-5(11-2)3-4(9-10)6(7)8/h3,6H,1-2H3
InChIKeyBEEIROJIGDWHII-UHFFFAOYSA-N
XLogP2.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole (CID 170134097) is 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole is CSc1cc(C(F)F)nn1C.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole?
The InChIKey is BEEIROJIGDWHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S/c1-10-5(11-2)3-4(9-10)6(7)8/h3,6H,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole?
3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole has a molecular weight of 178.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 170134097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).