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

C11H19N3O4S — CID 43513477

IUPAC3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(C)(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-4-11(2,3)13-19(17,18)9-7-12-14(8-9)6-5-10(15)16/h7-8,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyNRNIPELVPGATSU-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.82
Rot. Bonds7

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

3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513477) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513477
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(C)(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-4-11(2,3)13-19(17,18)9-7-12-14(8-9)6-5-10(15)16/h7-8,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyNRNIPELVPGATSU-UHFFFAOYSA-N
XLogP0.82
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513477) is 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is CCC(C)(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NRNIPELVPGATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-4-11(2,3)13-19(17,18)9-7-12-14(8-9)6-5-10(15)16/h7-8,13H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 289.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).