3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid

C10H17N3O4S — CID 43513486

IUPAC3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-10(2,3)12-18(16,17)8-6-11-13(7-8)5-4-9(14)15/h6-7,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyXYXYXIPHEYUPEJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.43
Rot. Bonds5

About 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513486) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513486
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-10(2,3)12-18(16,17)8-6-11-13(7-8)5-4-9(14)15/h6-7,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyXYXYXIPHEYUPEJ-UHFFFAOYSA-N
XLogP0.43
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513486) is 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid is CC(C)(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is XYXYXIPHEYUPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-10(2,3)12-18(16,17)8-6-11-13(7-8)5-4-9(14)15/h6-7,12H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).