3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide

C8H14N4O3S — CID 43582899

IUPAC3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H14N4O3S/c1-5-7(6(2)12-11-5)8(13)10-3-4-16(9,14)15/h3-4H2,1-2H3,(H,10,13)(H,11,12)(H2,9,14,15)
InChIKeyNOPUSOJLJWGMKA-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.96
Rot. Bonds4

About 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582899) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582899
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H14N4O3S/c1-5-7(6(2)12-11-5)8(13)10-3-4-16(9,14)15/h3-4H2,1-2H3,(H,10,13)(H,11,12)(H2,9,14,15)
InChIKeyNOPUSOJLJWGMKA-UHFFFAOYSA-N
XLogP-0.96
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[(dimethylamino)sulfonyl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 72873501
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-N~3~-(methylsulfonyl)-beta-alaninamide
CID 90648547
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 132228172
3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582806
3,5-dimethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 63227825
3,5-dimethyl-N-(4,4,4-trifluorobutyl)-1H-pyrazole-4-carboxamide
CID 79039794
N-(2,2-difluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 80033108
3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 113232969
3,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-carboxamide
CID 113472117
3,5-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide
CID 113826524
N-(3-amino-2,2-difluoropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 114383744
N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 130478235

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide (CID 43582899) is 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCS(N)(=O)=O.
What is the InChIKey of 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NOPUSOJLJWGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-5-7(6(2)12-11-5)8(13)10-3-4-16(9,14)15/h3-4H2,1-2H3,(H,10,13)(H,11,12)(H2,9,14,15).
What are the key properties of 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 246.29 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).