5-methyl-1-(trifluoromethylsulfonyl)pyrazole

C5H5F3N2O2S — CID 141175923

IUPAC5-methyl-1-(trifluoromethylsulfonyl)pyrazole
SMILESCc1ccnn1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O2S/c1-4-2-3-9-10(4)13(11,12)5(6,7)8/h2-3H,1H3
InChIKeyZQZZSRARFHBMFO-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.89
Rot. Bonds1

About 5-methyl-1-(trifluoromethylsulfonyl)pyrazole

5-methyl-1-(trifluoromethylsulfonyl)pyrazole (PubChem CID 141175923) has the molecular formula C5H5F3N2O2S and a molecular weight of 214.17 g/mol. Its IUPAC name is 5-methyl-1-(trifluoromethylsulfonyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(trifluoromethylsulfonyl)pyrazole
PubChem CID141175923
Molecular FormulaC5H5F3N2O2S
Molecular Weight214.17 g/mol
Exact Mass214.00
IUPAC Name5-methyl-1-(trifluoromethylsulfonyl)pyrazole
SMILESCc1ccnn1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H5F3N2O2S/c1-4-2-3-9-10(4)13(11,12)5(6,7)8/h2-3H,1H3
InChIKeyZQZZSRARFHBMFO-UHFFFAOYSA-N
XLogP0.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(trifluoromethylsulfonyl)pyrazole?
The IUPAC name of 5-methyl-1-(trifluoromethylsulfonyl)pyrazole (CID 141175923) is 5-methyl-1-(trifluoromethylsulfonyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(trifluoromethylsulfonyl)pyrazole?
The canonical SMILES for 5-methyl-1-(trifluoromethylsulfonyl)pyrazole is Cc1ccnn1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-methyl-1-(trifluoromethylsulfonyl)pyrazole?
The InChIKey is ZQZZSRARFHBMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2S/c1-4-2-3-9-10(4)13(11,12)5(6,7)8/h2-3H,1H3.
What are the key properties of 5-methyl-1-(trifluoromethylsulfonyl)pyrazole?
5-methyl-1-(trifluoromethylsulfonyl)pyrazole has a molecular weight of 214.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(trifluoromethylsulfonyl)pyrazole is sourced from PubChem (CID 141175923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).