5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C10H11N3O4S2 — CID 61473154

IUPAC5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C10H11N3O4S2/c14-10(15)8-5-11-13-9(8)19(16,17)12-3-1-7-2-4-18-6-7/h2,4-6,12H,1,3H2,(H,11,13)(H,14,15)
InChIKeyQHUKXEWUGAPDTL-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.69
Rot. Bonds6

About 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 61473154) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID61473154
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C10H11N3O4S2/c14-10(15)8-5-11-13-9(8)19(16,17)12-3-1-7-2-4-18-6-7/h2,4-6,12H,1,3H2,(H,11,13)(H,14,15)
InChIKeyQHUKXEWUGAPDTL-UHFFFAOYSA-N
XLogP0.69
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925
5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62314105
5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 66351046
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
N-(2-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47372092
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 61473154) is 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCCc1ccsc1.
What is the InChIKey of 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is QHUKXEWUGAPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c14-10(15)8-5-11-13-9(8)19(16,17)12-3-1-7-2-4-18-6-7/h2,4-6,12H,1,3H2,(H,11,13)(H,14,15).
What are the key properties of 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 61473154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).