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

C9H15N3O5S — CID 43591198

IUPAC2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCOCCNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-2-17-4-3-11-18(15,16)8-5-10-12(6-8)7-9(13)14/h5-6,11H,2-4,7H2,1H3,(H,13,14)
InChIKeyQPNOTAMLBNSGDA-UHFFFAOYSA-N
MW277.30 g/mol
LogP-0.72
Rot. Bonds8

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

2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43591198) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43591198
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCOCCNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-2-17-4-3-11-18(15,16)8-5-10-12(6-8)7-9(13)14/h5-6,11H,2-4,7H2,1H3,(H,13,14)
InChIKeyQPNOTAMLBNSGDA-UHFFFAOYSA-N
XLogP-0.72
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-0.72
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-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43591198) is 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid is CCOCCNS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is QPNOTAMLBNSGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-2-17-4-3-11-18(15,16)8-5-10-12(6-8)7-9(13)14/h5-6,11H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 277.30 g/mol, XLogP of -0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43591198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).