1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide

C7H10N4O2S — CID 104620948

IUPAC1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C7H10N4O2S/c1-5-4-9-10-7(5)11-14(12,13)6(2)3-8/h4,6H,1-2H3,(H2,9,10,11)
InChIKeyWIUWHKXAHNADRC-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.37
Rot. Bonds3

About 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide

1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide (PubChem CID 104620948) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide
PubChem CID104620948
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C7H10N4O2S/c1-5-4-9-10-7(5)11-14(12,13)6(2)3-8/h4,6H,1-2H3,(H2,9,10,11)
InChIKeyWIUWHKXAHNADRC-UHFFFAOYSA-N
XLogP0.37
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
CID 104617610
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
CID 102805691
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
N-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-sulfonamide
CID 104620883
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
CID 114387990
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
1-cyano-N-pyridazin-3-ylethanesulfonamide
CID 116787093
2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691498
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide (CID 104620948) is 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide is Cc1cn[nH]c1NS(=O)(=O)C(C)C#N.
What is the InChIKey of 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide?
The InChIKey is WIUWHKXAHNADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-5-4-9-10-7(5)11-14(12,13)6(2)3-8/h4,6H,1-2H3,(H2,9,10,11).
What are the key properties of 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide?
1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide has a molecular weight of 214.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-methyl-1H-pyrazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 104620948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).