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

C8H13N3O4S — CID 104617596

IUPAC4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H13N3O4S/c1-6-5-9-10-8(6)11-16(14,15)4-2-3-7(12)13/h5H,2-4H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyBAGQQOYIXZHCPP-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.32
Rot. Bonds6

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

4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid (PubChem CID 104617596) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid
PubChem CID104617596
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H13N3O4S/c1-6-5-9-10-8(6)11-16(14,15)4-2-3-7(12)13/h5H,2-4H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeyBAGQQOYIXZHCPP-UHFFFAOYSA-N
XLogP0.32
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid (CID 104617596) is 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid is Cc1cn[nH]c1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid?
The InChIKey is BAGQQOYIXZHCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-6-5-9-10-8(6)11-16(14,15)4-2-3-7(12)13/h5H,2-4H2,1H3,(H,12,13)(H2,9,10,11).
What are the key properties of 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid?
4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid has a molecular weight of 247.28 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 104617596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).