2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid

C6H9N3O5S — CID 64973990

IUPAC2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
SMILESCONS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C6H9N3O5S/c1-14-8-15(12,13)5-2-7-9(3-5)4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyRAXGCJQQYDOYQZ-UHFFFAOYSA-N
MW235.22 g/mol
LogP-1.19
Rot. Bonds5

About 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid

2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 64973990) has the molecular formula C6H9N3O5S and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID64973990
Molecular FormulaC6H9N3O5S
Molecular Weight235.22 g/mol
Exact Mass235.03
IUPAC Name2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
SMILESCONS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C6H9N3O5S/c1-14-8-15(12,13)5-2-7-9(3-5)4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11)
InChIKeyRAXGCJQQYDOYQZ-UHFFFAOYSA-N
XLogP-1.19
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 61143019
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid (CID 64973990) is 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid is CONS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is RAXGCJQQYDOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O5S/c1-14-8-15(12,13)5-2-7-9(3-5)4-6(10)11/h2-3,8H,4H2,1H3,(H,10,11).
What are the key properties of 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 235.22 g/mol, XLogP of -1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 64973990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).