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

C12H15N3O4S2 — CID 43513582

IUPAC3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCc2cccs2)cn1
InChIInChI=1S/C12H15N3O4S2/c16-12(17)4-6-15-9-11(8-13-15)21(18,19)14-5-3-10-2-1-7-20-10/h1-2,7-9,14H,3-6H2,(H,16,17)
InChIKeyCALFONHTALJYCA-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.94
Rot. Bonds8

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

3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513582) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513582
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCc2cccs2)cn1
InChIInChI=1S/C12H15N3O4S2/c16-12(17)4-6-15-9-11(8-13-15)21(18,19)14-5-3-10-2-1-7-20-10/h1-2,7-9,14H,3-6H2,(H,16,17)
InChIKeyCALFONHTALJYCA-UHFFFAOYSA-N
XLogP0.94
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513582) is 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NCCc2cccs2)cn1.
What is the InChIKey of 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is CALFONHTALJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c16-12(17)4-6-15-9-11(8-13-15)21(18,19)14-5-3-10-2-1-7-20-10/h1-2,7-9,14H,3-6H2,(H,16,17).
What are the key properties of 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).