1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole

C6H8F2N2O2S — CID 177135675

IUPAC1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
SMILESCc1c(S(C)(=O)=O)cnn1C(F)F
InChIInChI=1S/C6H8F2N2O2S/c1-4-5(13(2,11)12)3-9-10(4)6(7)8/h3,6H,1-2H3
InChIKeyFHXHCQXMRHERGH-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.99
Rot. Bonds2

About 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole

1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole (PubChem CID 177135675) has the molecular formula C6H8F2N2O2S and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
PubChem CID177135675
Molecular FormulaC6H8F2N2O2S
Molecular Weight210.20 g/mol
Exact Mass210.03
IUPAC Name1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
SMILESCc1c(S(C)(=O)=O)cnn1C(F)F
InChIInChI=1S/C6H8F2N2O2S/c1-4-5(13(2,11)12)3-9-10(4)6(7)8/h3,6H,1-2H3
InChIKeyFHXHCQXMRHERGH-UHFFFAOYSA-N
XLogP0.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole?
The IUPAC name of 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole (CID 177135675) is 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole is Cc1c(S(C)(=O)=O)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole?
The InChIKey is FHXHCQXMRHERGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2S/c1-4-5(13(2,11)12)3-9-10(4)6(7)8/h3,6H,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole?
1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole has a molecular weight of 210.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole is sourced from PubChem (CID 177135675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).