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

C10H17N3O5S — CID 43511071

IUPAC2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCOCCCNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-2-18-5-3-4-12-19(16,17)9-6-11-13(7-9)8-10(14)15/h6-7,12H,2-5,8H2,1H3,(H,14,15)
InChIKeyMOJZHEKYRMETFR-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.33
Rot. Bonds9

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

2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43511071) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43511071
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCOCCCNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-2-18-5-3-4-12-19(16,17)9-6-11-13(7-9)8-10(14)15/h6-7,12H,2-5,8H2,1H3,(H,14,15)
InChIKeyMOJZHEKYRMETFR-UHFFFAOYSA-N
XLogP-0.33
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.33
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-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43511071) is 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid is CCOCCCNS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is MOJZHEKYRMETFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-2-18-5-3-4-12-19(16,17)9-6-11-13(7-9)8-10(14)15/h6-7,12H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 291.33 g/mol, XLogP of -0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypropylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).