3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid

C11H17N3O5S — CID 83229001

IUPAC3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NOC2CCCC2)cn1
InChIInChI=1S/C11H17N3O5S/c15-11(16)5-6-14-8-10(7-12-14)20(17,18)13-19-9-3-1-2-4-9/h7-9,13H,1-6H2,(H,15,16)
InChIKeyRHTCMCIRSBZQNU-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.51
Rot. Bonds7

About 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 83229001) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID83229001
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NOC2CCCC2)cn1
InChIInChI=1S/C11H17N3O5S/c15-11(16)5-6-14-8-10(7-12-14)20(17,18)13-19-9-3-1-2-4-9/h7-9,13H,1-6H2,(H,15,16)
InChIKeyRHTCMCIRSBZQNU-UHFFFAOYSA-N
XLogP0.51
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid (CID 83229001) is 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NOC2CCCC2)cn1.
What is the InChIKey of 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is RHTCMCIRSBZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c15-11(16)5-6-14-8-10(7-12-14)20(17,18)13-19-9-3-1-2-4-9/h7-9,13H,1-6H2,(H,15,16).
What are the key properties of 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 303.34 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 83229001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).