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

C8H13N3O5S — CID 43510983

IUPAC2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCOCCNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C8H13N3O5S/c1-16-3-2-10-17(14,15)7-4-9-11(5-7)6-8(12)13/h4-5,10H,2-3,6H2,1H3,(H,12,13)
InChIKeyVPXUVOFEJWTVBA-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.11
Rot. Bonds7

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

2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43510983) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43510983
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCOCCNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C8H13N3O5S/c1-16-3-2-10-17(14,15)7-4-9-11(5-7)6-8(12)13/h4-5,10H,2-3,6H2,1H3,(H,12,13)
InChIKeyVPXUVOFEJWTVBA-UHFFFAOYSA-N
XLogP-1.11
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43510983) is 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid is COCCNS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is VPXUVOFEJWTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-16-3-2-10-17(14,15)7-4-9-11(5-7)6-8(12)13/h4-5,10H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 263.27 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43510983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).