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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Related Compounds

N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127026695
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
(4aR*,7aS*)-1-propyl-4-(1H-pyrazol-3-ylcarbonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70735823
N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-1H-pyrazole-3-carboxamide hydrochloride
CID 72925354
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709
N-{2-[(dimethylamino)sulfonyl]ethyl}-1-isopropyl-1H-pyrazole-3-carboxamide
CID 77097546
N~1~-methyl-N~3~-(methylsulfonyl)-N~1~-(1H-pyrazol-3-ylmethyl)-beta-alaninamide
CID 90647637

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).