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

C7H11N3O5S — CID 43511212

IUPAC2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCO)cn1
InChIInChI=1S/C7H11N3O5S/c11-2-1-9-16(14,15)6-3-8-10(4-6)5-7(12)13/h3-4,9,11H,1-2,5H2,(H,12,13)
InChIKeyLMZOYEZDXRZZAD-UHFFFAOYSA-N
MW249.25 g/mol
LogP-1.76
Rot. Bonds6

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

2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43511212) has the molecular formula C7H11N3O5S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43511212
Molecular FormulaC7H11N3O5S
Molecular Weight249.25 g/mol
Exact Mass249.04
IUPAC Name2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCO)cn1
InChIInChI=1S/C7H11N3O5S/c11-2-1-9-16(14,15)6-3-8-10(4-6)5-7(12)13/h3-4,9,11H,1-2,5H2,(H,12,13)
InChIKeyLMZOYEZDXRZZAD-UHFFFAOYSA-N
XLogP-1.76
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62497992
2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 106390652
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 113495559
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43511212) is 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)NCCO)cn1.
What is the InChIKey of 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is LMZOYEZDXRZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O5S/c11-2-1-9-16(14,15)6-3-8-10(4-6)5-7(12)13/h3-4,9,11H,1-2,5H2,(H,12,13).
What are the key properties of 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 249.25 g/mol, XLogP of -1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).