1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide

C8H12N4O2S — CID 102805691

IUPAC1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C8H12N4O2S/c1-6(4-9)15(13,14)11-8-5-12(3)10-7(8)2/h5-6,11H,1-3H3
InChIKeyKZJPDFVJYCANRF-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.38
Rot. Bonds3

About 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide

1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide (PubChem CID 102805691) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
PubChem CID102805691
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C8H12N4O2S/c1-6(4-9)15(13,14)11-8-5-12(3)10-7(8)2/h5-6,11H,1-3H3
InChIKeyKZJPDFVJYCANRF-UHFFFAOYSA-N
XLogP0.38
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 102803966
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102806224
4-amino-N-(1,3-dimethylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 102803397
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103562440
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
N-(1,3-dimethylpyrazol-4-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327562
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 102807216
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
CID 102807205

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide (CID 102805691) is 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide is Cc1nn(C)cc1NS(=O)(=O)C(C)C#N.
What is the InChIKey of 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide?
The InChIKey is KZJPDFVJYCANRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-6(4-9)15(13,14)11-8-5-12(3)10-7(8)2/h5-6,11H,1-3H3.
What are the key properties of 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide?
1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 102805691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).