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

C11H19N3O4S — CID 55108808

IUPAC3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(C)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-3-9(2)6-13-19(17,18)10-7-12-14(8-10)5-4-11(15)16/h7-9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyZLDUYDKKMIQQPR-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.68
Rot. Bonds8

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

3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 55108808) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID55108808
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(C)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-3-9(2)6-13-19(17,18)10-7-12-14(8-10)5-4-11(15)16/h7-9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyZLDUYDKKMIQQPR-UHFFFAOYSA-N
XLogP0.68
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
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3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
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3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
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3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 82706470
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
3-[4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 65105497
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 62200769
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 61349658

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 55108808) is 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid is CCC(C)CNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is ZLDUYDKKMIQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-9(2)6-13-19(17,18)10-7-12-14(8-10)5-4-11(15)16/h7-9,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 289.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 55108808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).