N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen

C10H24N4O4S — CID 144593241

IUPACN-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen
SMILESCC.CC(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1.[H][H].[H][H].[H][H]
InChIInChI=1S/C8H12N4O4S.C2H6.3H2/c1-6(13)12-17(15,16)5-4-9-8(14)7-2-3-10-11-7;1-2;;;/h2-3H,4-5H2,1H3,(H,9,14)(H,10,11)(H,12,13);1-2H3;3*1H
InChIKeyZMZHDFIDCOSHHM-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.37
Rot. Bonds5

About N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen

N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen (PubChem CID 144593241) has the molecular formula C10H24N4O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen
PubChem CID144593241
Molecular FormulaC10H24N4O4S
Molecular Weight296.39 g/mol
Exact Mass296.15
IUPAC NameN-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen
SMILESCC.CC(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1.[H][H].[H][H].[H][H]
InChIInChI=1S/C8H12N4O4S.C2H6.3H2/c1-6(13)12-17(15,16)5-4-9-8(14)7-2-3-10-11-7;1-2;;;/h2-3H,4-5H2,1H3,(H,9,14)(H,10,11)(H,12,13);1-2H3;3*1H
InChIKeyZMZHDFIDCOSHHM-UHFFFAOYSA-N
XLogP0.37
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.37
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
[(3aR,8aR)-2-ethyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(1H-pyrazol-5-yl)methanone
CID 97441070
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-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
CID 47342569
N-{2-[(dimethylamino)sulfonyl]ethyl}-1-isopropyl-1H-pyrazole-3-carboxamide
CID 77097546

Frequently Asked Questions

What is the IUPAC name of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen?
The IUPAC name of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen (CID 144593241) is N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen is CC.CC(=O)NS(=O)(=O)CCNC(=O)c1ccn[nH]1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen?
The InChIKey is ZMZHDFIDCOSHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S.C2H6.3H2/c1-6(13)12-17(15,16)5-4-9-8(14)7-2-3-10-11-7;1-2;;;/h2-3H,4-5H2,1H3,(H,9,14)(H,10,11)(H,12,13);1-2H3;3*1H.
What are the key properties of N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen?
N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen has a molecular weight of 296.39 g/mol, XLogP of 0.37, 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;ethane;molecular hydrogen is sourced from PubChem (CID 144593241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).