3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid

C11H13N3O4S2 — CID 43513677

IUPAC3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCc2cccs2)cn1
InChIInChI=1S/C11H13N3O4S2/c15-11(16)3-4-14-8-10(7-12-14)20(17,18)13-6-9-2-1-5-19-9/h1-2,5,7-8,13H,3-4,6H2,(H,15,16)
InChIKeyMIQMEKMDRYWOOI-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.90
Rot. Bonds7

About 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513677) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513677
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCc2cccs2)cn1
InChIInChI=1S/C11H13N3O4S2/c15-11(16)3-4-14-8-10(7-12-14)20(17,18)13-6-9-2-1-5-19-9/h1-2,5,7-8,13H,3-4,6H2,(H,15,16)
InChIKeyMIQMEKMDRYWOOI-UHFFFAOYSA-N
XLogP0.90
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513677) is 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NCc2cccs2)cn1.
What is the InChIKey of 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is MIQMEKMDRYWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c15-11(16)3-4-14-8-10(7-12-14)20(17,18)13-6-9-2-1-5-19-9/h1-2,5,7-8,13H,3-4,6H2,(H,15,16).
What are the key properties of 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 315.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).