4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid

C7H11N3O4S — CID 102690632

IUPAC4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O4S/c11-7(12)2-1-4-9-15(13,14)6-3-5-8-10-6/h3,5,9H,1-2,4H2,(H,8,10)(H,11,12)
InChIKeyCSYZTMFJKNCPIH-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.45
Rot. Bonds6

About 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid

4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (PubChem CID 102690632) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
PubChem CID102690632
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O4S/c11-7(12)2-1-4-9-15(13,14)6-3-5-8-10-6/h3,5,9H,1-2,4H2,(H,8,10)(H,11,12)
InChIKeyCSYZTMFJKNCPIH-UHFFFAOYSA-N
XLogP-0.45
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1H-pyrazol-5-ylsulfonylamino)butanoic 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 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (CID 102690632) is 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The InChIKey is CSYZTMFJKNCPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c11-7(12)2-1-4-9-15(13,14)6-3-5-8-10-6/h3,5,9H,1-2,4H2,(H,8,10)(H,11,12).
What are the key properties of 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid has a molecular weight of 233.25 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 102690632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).