N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

C8H12N4O4S — CID 90085564

IUPACN-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O4S/c1-6(13)12-17(15,16)5-4-9-8(14)7-2-3-10-11-7/h2-3H,4-5H2,1H3,(H,9,14)(H,10,11)(H,12,13)
InChIKeyGLRPKNFOTACLNZ-UHFFFAOYSA-N
MW260.27 g/mol
LogP-1.39
Rot. Bonds5

About N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 90085564) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID90085564
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC NameN-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O4S/c1-6(13)12-17(15,16)5-4-9-8(14)7-2-3-10-11-7/h2-3H,4-5H2,1H3,(H,9,14)(H,10,11)(H,12,13)
InChIKeyGLRPKNFOTACLNZ-UHFFFAOYSA-N
XLogP-1.39
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (CID 90085564) is N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is CC(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GLRPKNFOTACLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-6(13)12-17(15,16)5-4-9-8(14)7-2-3-10-11-7/h2-3H,4-5H2,1H3,(H,9,14)(H,10,11)(H,12,13).
What are the key properties of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 260.27 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90085564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).