2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid

C12H21N3O4S — CID 63843646

IUPAC2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCC(CC)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H21N3O4S/c1-4-10(5-2)9(3)14-20(18,19)11-6-13-15(7-11)8-12(16)17/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyHGLKESRGVJYMLL-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.07
Rot. Bonds8

About 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid

2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 63843646) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID63843646
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCC(CC)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H21N3O4S/c1-4-10(5-2)9(3)14-20(18,19)11-6-13-15(7-11)8-12(16)17/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyHGLKESRGVJYMLL-UHFFFAOYSA-N
XLogP1.07
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
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CID 60780508
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
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2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 61143019
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
2-[4-[1-(5-methylfuran-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43706147
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid (CID 63843646) is 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid is CCC(CC)C(C)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is HGLKESRGVJYMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-4-10(5-2)9(3)14-20(18,19)11-6-13-15(7-11)8-12(16)17/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 303.38 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63843646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).