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

C10H17N3O5S — CID 113495559

IUPAC2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCC(CCO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-2-8(3-4-14)12-19(17,18)9-5-11-13(6-9)7-10(15)16/h5-6,8,12,14H,2-4,7H2,1H3,(H,15,16)
InChIKeyUKQBHIJATSVOFY-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.59
Rot. Bonds8

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

2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 113495559) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID113495559
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCC(CCO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-2-8(3-4-14)12-19(17,18)9-5-11-13(6-9)7-10(15)16/h5-6,8,12,14H,2-4,7H2,1H3,(H,15,16)
InChIKeyUKQBHIJATSVOFY-UHFFFAOYSA-N
XLogP-0.59
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.59
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
CID 107216136
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508
2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 61143019
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 63994050
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
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-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid (CID 113495559) is 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid is CCC(CCO)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is UKQBHIJATSVOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-2-8(3-4-14)12-19(17,18)9-5-11-13(6-9)7-10(15)16/h5-6,8,12,14H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 291.33 g/mol, XLogP of -0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 113495559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).