2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

C10H17N3O5S — CID 79254017

IUPAC2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)C(CO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-7(2)9(6-14)12-19(17,18)8-3-11-13(4-8)5-10(15)16/h3-4,7,9,12,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyCKDDTRGACQJMMB-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.74
Rot. Bonds7

About 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 79254017) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID79254017
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)C(CO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-7(2)9(6-14)12-19(17,18)8-3-11-13(4-8)5-10(15)16/h3-4,7,9,12,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyCKDDTRGACQJMMB-UHFFFAOYSA-N
XLogP-0.74
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
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2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
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CID 43578551
2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 113495559
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
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2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-[1-(5-methylfuran-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43706147
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 79254017) is 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is CC(C)C(CO)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is CKDDTRGACQJMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-7(2)9(6-14)12-19(17,18)8-3-11-13(4-8)5-10(15)16/h3-4,7,9,12,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 291.33 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 79254017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).