2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

C9H13N3O6S — CID 60780508

IUPAC2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCOC(=O)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H13N3O6S/c1-6(9(15)18-2)11-19(16,17)7-3-10-12(4-7)5-8(13)14/h3-4,6,11H,5H2,1-2H3,(H,13,14)
InChIKeyXGDIRSQKMMUERK-UHFFFAOYSA-N
MW291.29 g/mol
LogP-1.19
Rot. Bonds6

About 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 60780508) has the molecular formula C9H13N3O6S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID60780508
Molecular FormulaC9H13N3O6S
Molecular Weight291.29 g/mol
Exact Mass291.05
IUPAC Name2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCOC(=O)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H13N3O6S/c1-6(9(15)18-2)11-19(16,17)7-3-10-12(4-7)5-8(13)14/h3-4,6,11H,5H2,1-2H3,(H,13,14)
InChIKeyXGDIRSQKMMUERK-UHFFFAOYSA-N
XLogP-1.19
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
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2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
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2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
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CID 79254017
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 113495559
2-[4-[1-(5-methylfuran-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43706147
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 60780508) is 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is COC(=O)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is XGDIRSQKMMUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6S/c1-6(9(15)18-2)11-19(16,17)7-3-10-12(4-7)5-8(13)14/h3-4,6,11H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 291.29 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 60780508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).