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

C10H17N3O4S — CID 43513505

IUPAC3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-8(2)5-12-18(16,17)9-6-11-13(7-9)4-3-10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyFVVUFGWWTWJDSG-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.29
Rot. Bonds7

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

3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513505) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513505
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C)CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-8(2)5-12-18(16,17)9-6-11-13(7-9)4-3-10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyFVVUFGWWTWJDSG-UHFFFAOYSA-N
XLogP0.29
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513505) is 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid is CC(C)CNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is FVVUFGWWTWJDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-8(2)5-12-18(16,17)9-6-11-13(7-9)4-3-10(14)15/h6-8,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).