3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid

C7H11N3O4S — CID 43535078

IUPAC3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
SMILESCn1cc(NS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C7H11N3O4S/c1-10-5-6(4-8-10)9-15(13,14)3-2-7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12)
InChIKeyUQMSZYGWJJYVBP-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.36
Rot. Bonds5

About 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid

3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid (PubChem CID 43535078) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
PubChem CID43535078
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
SMILESCn1cc(NS(=O)(=O)CCC(=O)O)cn1
InChIInChI=1S/C7H11N3O4S/c1-10-5-6(4-8-10)9-15(13,14)3-2-7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12)
InChIKeyUQMSZYGWJJYVBP-UHFFFAOYSA-N
XLogP-0.36
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
CID 60934478
3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
CID 43709814
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
CID 62904166
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644624
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
CID 79026430
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid (CID 43535078) is 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid is Cn1cc(NS(=O)(=O)CCC(=O)O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid?
The InChIKey is UQMSZYGWJJYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-10-5-6(4-8-10)9-15(13,14)3-2-7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid?
3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid has a molecular weight of 233.25 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43535078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).