5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid

C12H15N3O4S2 — CID 166390232

IUPAC5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCC(C)N(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C12H15N3O4S2/c1-8(2)15(7-9-4-3-5-20-9)21(18,19)11-6-10(12(16)17)13-14-11/h3-6,8H,7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyALEJBLLZYLIAIQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds6

About 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid

5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 166390232) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
PubChem CID166390232
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCC(C)N(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C12H15N3O4S2/c1-8(2)15(7-9-4-3-5-20-9)21(18,19)11-6-10(12(16)17)13-14-11/h3-6,8H,7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyALEJBLLZYLIAIQ-UHFFFAOYSA-N
XLogP1.77
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
N-propan-2-yl-N-(thiophen-2-ylmethyl)propane-2-sulfonamide
CID 61395279
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63883409
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
CID 61452159
4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 61455518
3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450031
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450114
2-fluoro-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106699173
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 61454199
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 61394676
4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62077582

Frequently Asked Questions

What is the IUPAC name of 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid (CID 166390232) is 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid is CC(C)N(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is ALEJBLLZYLIAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-8(2)15(7-9-4-3-5-20-9)21(18,19)11-6-10(12(16)17)13-14-11/h3-6,8H,7H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 166390232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).