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

C10H17N3O5S — CID 82706470

IUPAC3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C)CONS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-8(2)7-18-12-19(16,17)9-5-11-13(6-9)4-3-10(14)15/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyAQWOCTJUMXMDTE-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.22
Rot. Bonds8

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

3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 82706470) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID82706470
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C)CONS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-8(2)7-18-12-19(16,17)9-5-11-13(6-9)4-3-10(14)15/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyAQWOCTJUMXMDTE-UHFFFAOYSA-N
XLogP0.22
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-(2-methylpropoxysulfamoyl)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

Related Compounds

3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55108808
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64604624
3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 83229001
3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 62200769
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513624
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid (CID 82706470) is 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid is CC(C)CONS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is AQWOCTJUMXMDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-8(2)7-18-12-19(16,17)9-5-11-13(6-9)4-3-10(14)15/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 291.33 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 82706470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).