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

C10H15N3O5S — CID 80717554

IUPAC3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NC2CCOC2)cn1
InChIInChI=1S/C10H15N3O5S/c14-10(15)1-3-13-6-9(5-11-13)19(16,17)12-8-2-4-18-7-8/h5-6,8,12H,1-4,7H2,(H,14,15)
InChIKeyWGUDFPSYUGWZLA-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.57
Rot. Bonds6

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

3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 80717554) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID80717554
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NC2CCOC2)cn1
InChIInChI=1S/C10H15N3O5S/c14-10(15)1-3-13-6-9(5-11-13)19(16,17)12-8-2-4-18-7-8/h5-6,8,12H,1-4,7H2,(H,14,15)
InChIKeyWGUDFPSYUGWZLA-UHFFFAOYSA-N
XLogP-0.57
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 80717554) is 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NC2CCOC2)cn1.
What is the InChIKey of 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is WGUDFPSYUGWZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-10(15)1-3-13-6-9(5-11-13)19(16,17)12-8-2-4-18-7-8/h5-6,8,12H,1-4,7H2,(H,14,15).
What are the key properties of 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 80717554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).