3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid

C7H11N3O4S — CID 104617617

IUPAC3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H11N3O4S/c1-5-4-8-9-7(5)10-15(13,14)3-2-6(11)12/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyKTXXNGNVGNTAGK-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.07
Rot. Bonds5

About 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid

3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid (PubChem CID 104617617) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
PubChem CID104617617
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H11N3O4S/c1-5-4-8-9-7(5)10-15(13,14)3-2-6(11)12/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyKTXXNGNVGNTAGK-UHFFFAOYSA-N
XLogP-0.07
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid (CID 104617617) is 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid is Cc1cn[nH]c1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
The InChIKey is KTXXNGNVGNTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-5-4-8-9-7(5)10-15(13,14)3-2-6(11)12/h4H,2-3H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid has a molecular weight of 233.25 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 104617617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).