3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid

C8H10F3N3O4S — CID 43513621

IUPAC3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O4S/c9-8(10,11)5-13-19(17,18)6-3-12-14(4-6)2-1-7(15)16/h3-4,13H,1-2,5H2,(H,15,16)
InChIKeyRWFGXUVIMDZJEI-UHFFFAOYSA-N
MW301.25 g/mol
LogP0.20
Rot. Bonds6

About 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513621) has the molecular formula C8H10F3N3O4S and a molecular weight of 301.25 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513621
Molecular FormulaC8H10F3N3O4S
Molecular Weight301.25 g/mol
Exact Mass301.03
IUPAC Name3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O4S/c9-8(10,11)5-13-19(17,18)6-3-12-14(4-6)2-1-7(15)16/h3-4,13H,1-2,5H2,(H,15,16)
InChIKeyRWFGXUVIMDZJEI-UHFFFAOYSA-N
XLogP0.20
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513621) is 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is RWFGXUVIMDZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4S/c9-8(10,11)5-13-19(17,18)6-3-12-14(4-6)2-1-7(15)16/h3-4,13H,1-2,5H2,(H,15,16).
What are the key properties of 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 301.25 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).