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

C9H15N3O6S — CID 62497992

IUPAC2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCOCCO)cn1
InChIInChI=1S/C9H15N3O6S/c13-2-4-18-3-1-11-19(16,17)8-5-10-12(6-8)7-9(14)15/h5-6,11,13H,1-4,7H2,(H,14,15)
InChIKeyXWKNRQKOCSKTIZ-UHFFFAOYSA-N
MW293.30 g/mol
LogP-1.75
Rot. Bonds9

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

2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 62497992) has the molecular formula C9H15N3O6S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID62497992
Molecular FormulaC9H15N3O6S
Molecular Weight293.30 g/mol
Exact Mass293.07
IUPAC Name2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCOCCO)cn1
InChIInChI=1S/C9H15N3O6S/c13-2-4-18-3-1-11-19(16,17)8-5-10-12(6-8)7-9(14)15/h5-6,11,13H,1-4,7H2,(H,14,15)
InChIKeyXWKNRQKOCSKTIZ-UHFFFAOYSA-N
XLogP-1.75
TPSA130.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
N-[2-(2-hydroxyethoxy)ethyl]-1-methylpyrazole-4-sulfonamide
CID 62498133
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-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
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-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid (CID 62497992) is 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)NCCOCCO)cn1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is XWKNRQKOCSKTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6S/c13-2-4-18-3-1-11-19(16,17)8-5-10-12(6-8)7-9(14)15/h5-6,11,13H,1-4,7H2,(H,14,15).
What are the key properties of 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 293.30 g/mol, XLogP of -1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 62497992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).