2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid

C10H17N3O4S — CID 54947856

IUPAC2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid
SMILESCc1c(C(C)NS(=O)(=O)C(C)C(=O)O)cnn1C
InChIInChI=1S/C10H17N3O4S/c1-6(9-5-11-13(4)7(9)2)12-18(16,17)8(3)10(14)15/h5-6,8,12H,1-4H3,(H,14,15)
InChIKeyGOOINAHHIARCJB-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.18
Rot. Bonds5

About 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid

2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid (PubChem CID 54947856) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid
PubChem CID54947856
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid
SMILESCc1c(C(C)NS(=O)(=O)C(C)C(=O)O)cnn1C
InChIInChI=1S/C10H17N3O4S/c1-6(9-5-11-13(4)7(9)2)12-18(16,17)8(3)10(14)15/h5-6,8,12H,1-4H3,(H,14,15)
InChIKeyGOOINAHHIARCJB-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid (CID 54947856) is 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid is Cc1c(C(C)NS(=O)(=O)C(C)C(=O)O)cnn1C.
What is the InChIKey of 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid?
The InChIKey is GOOINAHHIARCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-6(9-5-11-13(4)7(9)2)12-18(16,17)8(3)10(14)15/h5-6,8,12H,1-4H3,(H,14,15).
What are the key properties of 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid?
2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).