[2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid

C5H10BN3O4S — CID 74890398

IUPAC[2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid
SMILESCN(C)S(=O)(=O)n1nccc1B(O)O
InChIInChI=1S/C5H10BN3O4S/c1-8(2)14(12,13)9-5(6(10)11)3-4-7-9/h3-4,10-11H,1-2H3
InChIKeyVUCGKMPCSGUOBC-UHFFFAOYSA-N
MW219.03 g/mol
LogP-2.78
Rot. Bonds3

About [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid

[2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid (PubChem CID 74890398) has the molecular formula C5H10BN3O4S and a molecular weight of 219.03 g/mol. Its IUPAC name is [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid.

Molecular Properties

Compound Name[2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid
PubChem CID74890398
Molecular FormulaC5H10BN3O4S
Molecular Weight219.03 g/mol
Exact Mass219.05
IUPAC Name[2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid
SMILESCN(C)S(=O)(=O)n1nccc1B(O)O
InChIInChI=1S/C5H10BN3O4S/c1-8(2)14(12,13)9-5(6(10)11)3-4-7-9/h3-4,10-11H,1-2H3
InChIKeyVUCGKMPCSGUOBC-UHFFFAOYSA-N
XLogP-2.78
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 5-2.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid?
The IUPAC name of [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid (CID 74890398) is [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid.
What is the SMILES notation for [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid?
The canonical SMILES for [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid is CN(C)S(=O)(=O)n1nccc1B(O)O.
What is the InChIKey of [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid?
The InChIKey is VUCGKMPCSGUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BN3O4S/c1-8(2)14(12,13)9-5(6(10)11)3-4-7-9/h3-4,10-11H,1-2H3.
What are the key properties of [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid?
[2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid has a molecular weight of 219.03 g/mol, XLogP of -2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylsulfamoyl)pyrazol-3-yl]boronic acid is sourced from PubChem (CID 74890398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).