5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C6H6F3N3O4S — CID 54933972

IUPAC5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H6F3N3O4S/c7-6(8,9)2-11-17(15,16)4-3(5(13)14)1-10-12-4/h1,11H,2H2,(H,10,12)(H,13,14)
InChIKeySQYHTJBCFSWRMO-UHFFFAOYSA-N
MW273.19 g/mol
LogP-0.05
Rot. Bonds4

About 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 54933972) has the molecular formula C6H6F3N3O4S and a molecular weight of 273.19 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID54933972
Molecular FormulaC6H6F3N3O4S
Molecular Weight273.19 g/mol
Exact Mass273.00
IUPAC Name5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H6F3N3O4S/c7-6(8,9)2-11-17(15,16)4-3(5(13)14)1-10-12-4/h1,11H,2H2,(H,10,12)(H,13,14)
InChIKeySQYHTJBCFSWRMO-UHFFFAOYSA-N
XLogP-0.05
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 54933972) is 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is SQYHTJBCFSWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O4S/c7-6(8,9)2-11-17(15,16)4-3(5(13)14)1-10-12-4/h1,11H,2H2,(H,10,12)(H,13,14).
What are the key properties of 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 273.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54933972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).