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

C8H14N4O4S — CID 54933878

IUPAC5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(C)CCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H14N4O4S/c1-12(2)4-3-10-17(15,16)7-6(8(13)14)5-9-11-7/h5,10H,3-4H2,1-2H3,(H,9,11)(H,13,14)
InChIKeyIPURMPGBUQVZIY-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.05
Rot. Bonds6

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

5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 54933878) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID54933878
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC Name5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(C)CCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H14N4O4S/c1-12(2)4-3-10-17(15,16)7-6(8(13)14)5-9-11-7/h5,10H,3-4H2,1-2H3,(H,9,11)(H,13,14)
InChIKeyIPURMPGBUQVZIY-UHFFFAOYSA-N
XLogP-1.05
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860
5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106234889
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62314105
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106252762
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912033
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 54933878) is 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is CN(C)CCNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is IPURMPGBUQVZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-12(2)4-3-10-17(15,16)7-6(8(13)14)5-9-11-7/h5,10H,3-4H2,1-2H3,(H,9,11)(H,13,14).
What are the key properties of 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54933878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).