2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid

C12H15N3O4S2 — CID 61473239

IUPAC2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H15N3O4S2/c1-9(4-10-2-3-20-8-10)14-21(18,19)11-5-13-15(6-11)7-12(16)17/h2-3,5-6,8-9,14H,4,7H2,1H3,(H,16,17)
InChIKeyUGEDRZIHEUPBBX-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.94
Rot. Bonds7

About 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid

2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 61473239) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID61473239
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H15N3O4S2/c1-9(4-10-2-3-20-8-10)14-21(18,19)11-5-13-15(6-11)7-12(16)17/h2-3,5-6,8-9,14H,4,7H2,1H3,(H,16,17)
InChIKeyUGEDRZIHEUPBBX-UHFFFAOYSA-N
XLogP0.94
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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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Related Compounds

1-methyl-N-(2-(thiophen-3-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 71806710
N,1-dimethyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]pyrazole-4-sulfonamide
CID 97589683
N-[(2S)-2-hydroxy-2-methyl-3-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
CID 164639450
2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)pyrazol-1-yl]acetic acid
CID 43511000
2-[4-(2-Thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511050
2-[4-(1-Thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511162
2-[4-[Methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511168
2-[4-(Thiophen-2-ylmethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511177
3-[4-(2-Thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513582
3-[4-(1-Thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513671
2-[4-[Methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43528161
2-[4-[1-(5-Chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43708748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid (CID 61473239) is 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid is CC(Cc1ccsc1)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is UGEDRZIHEUPBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-9(4-10-2-3-20-8-10)14-21(18,19)11-5-13-15(6-11)7-12(16)17/h2-3,5-6,8-9,14H,4,7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 329.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-thiophen-3-ylpropan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61473239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).