5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C7H8F3N3O4S — CID 55175721

IUPAC5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H8F3N3O4S/c8-7(9,10)1-2-12-18(16,17)5-4(6(14)15)3-11-13-5/h3,12H,1-2H2,(H,11,13)(H,14,15)
InChIKeyVWZHXIIQCPGFOM-UHFFFAOYSA-N
MW287.22 g/mol
LogP0.34
Rot. Bonds5

About 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 55175721) has the molecular formula C7H8F3N3O4S and a molecular weight of 287.22 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID55175721
Molecular FormulaC7H8F3N3O4S
Molecular Weight287.22 g/mol
Exact Mass287.02
IUPAC Name5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H8F3N3O4S/c8-7(9,10)1-2-12-18(16,17)5-4(6(14)15)3-11-13-5/h3,12H,1-2H2,(H,11,13)(H,14,15)
InChIKeyVWZHXIIQCPGFOM-UHFFFAOYSA-N
XLogP0.34
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 55175721) is 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is VWZHXIIQCPGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O4S/c8-7(9,10)1-2-12-18(16,17)5-4(6(14)15)3-11-13-5/h3,12H,1-2H2,(H,11,13)(H,14,15).
What are the key properties of 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 287.22 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 55175721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).