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

C10H17N3O4S — CID 61166844

IUPAC2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(C)(C)CNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-10(2,3)7-12-18(16,17)8-4-11-13(5-8)6-9(14)15/h4-5,12H,6-7H2,1-3H3,(H,14,15)
InChIKeyCGGGVKUOSUDUOD-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.29
Rot. Bonds5

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

2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 61166844) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID61166844
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(C)(C)CNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O4S/c1-10(2,3)7-12-18(16,17)8-4-11-13(5-8)6-9(14)15/h4-5,12H,6-7H2,1-3H3,(H,14,15)
InChIKeyCGGGVKUOSUDUOD-UHFFFAOYSA-N
XLogP0.29
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 138001311
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 106390652
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
2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62497992
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid (CID 61166844) is 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid is CC(C)(C)CNS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is CGGGVKUOSUDUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-10(2,3)7-12-18(16,17)8-4-11-13(5-8)6-9(14)15/h4-5,12H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 275.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61166844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).