5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C8H12N4O6S — CID 106234889

IUPAC5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)COCCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H12N4O6S/c9-6(13)4-18-2-1-11-19(16,17)7-5(8(14)15)3-10-12-7/h3,11H,1-2,4H2,(H2,9,13)(H,10,12)(H,14,15)
InChIKeyFUOFCONVXQBFMP-UHFFFAOYSA-N
MW292.27 g/mol
LogP-2.11
Rot. Bonds8

About 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106234889) has the molecular formula C8H12N4O6S and a molecular weight of 292.27 g/mol. Its IUPAC name is 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106234889
Molecular FormulaC8H12N4O6S
Molecular Weight292.27 g/mol
Exact Mass292.05
IUPAC Name5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESNC(=O)COCCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H12N4O6S/c9-6(13)4-18-2-1-11-19(16,17)7-5(8(14)15)3-10-12-7/h3,11H,1-2,4H2,(H2,9,13)(H,10,12)(H,14,15)
InChIKeyFUOFCONVXQBFMP-UHFFFAOYSA-N
XLogP-2.11
TPSA164.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
CID 106241017
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912033
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106234889) is 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is NC(=O)COCCNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is FUOFCONVXQBFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O6S/c9-6(13)4-18-2-1-11-19(16,17)7-5(8(14)15)3-10-12-7/h3,11H,1-2,4H2,(H2,9,13)(H,10,12)(H,14,15).
What are the key properties of 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of -2.11, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106234889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).