5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C8H11N3O6S — CID 54934219

IUPAC5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOC(=O)CCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H11N3O6S/c1-17-6(12)2-3-10-18(15,16)7-5(8(13)14)4-9-11-7/h4,10H,2-3H2,1H3,(H,9,11)(H,13,14)
InChIKeyZHWJLDWOPBEFJC-UHFFFAOYSA-N
MW277.26 g/mol
LogP-1.05
Rot. Bonds6

About 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 54934219) has the molecular formula C8H11N3O6S and a molecular weight of 277.26 g/mol. Its IUPAC name is 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID54934219
Molecular FormulaC8H11N3O6S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Name5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOC(=O)CCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H11N3O6S/c1-17-6(12)2-3-10-18(15,16)7-5(8(13)14)4-9-11-7/h4,10H,2-3H2,1H3,(H,9,11)(H,13,14)
InChIKeyZHWJLDWOPBEFJC-UHFFFAOYSA-N
XLogP-1.05
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106234889
5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860
3-[(3-methoxy-3-oxopropyl)sulfamoyl]pyridine-4-carboxylic acid
CID 114271127
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950374
5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106252762
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 54934219) is 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is COC(=O)CCNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is ZHWJLDWOPBEFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S/c1-17-6(12)2-3-10-18(15,16)7-5(8(13)14)4-9-11-7/h4,10H,2-3H2,1H3,(H,9,11)(H,13,14).
What are the key properties of 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54934219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).