5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C7H8F3N3O4S — CID 60912418

IUPAC5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C7H8F3N3O4S/c1-13(3-7(8,9)10)18(16,17)5-4(6(14)15)2-11-12-5/h2H,3H2,1H3,(H,11,12)(H,14,15)
InChIKeyCNWHQFWBJHQSNN-UHFFFAOYSA-N
MW287.22 g/mol
LogP0.29
Rot. Bonds4

About 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60912418) has the molecular formula C7H8F3N3O4S and a molecular weight of 287.22 g/mol. Its IUPAC name is 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60912418
Molecular FormulaC7H8F3N3O4S
Molecular Weight287.22 g/mol
Exact Mass287.02
IUPAC Name5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C7H8F3N3O4S/c1-13(3-7(8,9)10)18(16,17)5-4(6(14)15)2-11-12-5/h2H,3H2,1H3,(H,11,12)(H,14,15)
InChIKeyCNWHQFWBJHQSNN-UHFFFAOYSA-N
XLogP0.29
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60912418) is 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is CNWHQFWBJHQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O4S/c1-13(3-7(8,9)10)18(16,17)5-4(6(14)15)2-11-12-5/h2H,3H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 287.22 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60912418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).