2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid

C7H11N3O4S — CID 104617610

IUPAC2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C7H11N3O4S/c1-4-3-8-9-6(4)10-15(13,14)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyZVYCWLJXGZWEBB-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.07
Rot. Bonds4

About 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid

2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid (PubChem CID 104617610) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
PubChem CID104617610
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
SMILESCc1cn[nH]c1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C7H11N3O4S/c1-4-3-8-9-6(4)10-15(13,14)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyZVYCWLJXGZWEBB-UHFFFAOYSA-N
XLogP-0.07
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide
CID 104620948
3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid
CID 104617625
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 104620556
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104619088
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 102803966
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
N-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-sulfonamide
CID 104620883
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid
CID 61454442

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid (CID 104617610) is 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid is Cc1cn[nH]c1NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
The InChIKey is ZVYCWLJXGZWEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-4-3-8-9-6(4)10-15(13,14)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid?
2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid has a molecular weight of 233.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 104617610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).