1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide

C13H14N4O2S — CID 61461257

IUPAC1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCn2cccn2)cc1
InChIInChI=1S/C13H14N4O2S/c14-10-12-2-4-13(5-3-12)11-20(18,19)16-7-9-17-8-1-6-15-17/h1-6,8,16H,7,9,11H2
InChIKeyQUIMTWMOXRGAKA-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.87
Rot. Bonds6

About 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide

1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide (PubChem CID 61461257) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide
PubChem CID61461257
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCn2cccn2)cc1
InChIInChI=1S/C13H14N4O2S/c14-10-12-2-4-13(5-3-12)11-20(18,19)16-7-9-17-8-1-6-15-17/h1-6,8,16H,7,9,11H2
InChIKeyQUIMTWMOXRGAKA-UHFFFAOYSA-N
XLogP0.87
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-pyrazol-1-ylethylamino)ethyl]benzonitrile
CID 54951278
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
CID 106325562
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
3-[2-(2-pyrazol-1-ylethylamino)ethylsulfonyl]benzonitrile
CID 115563463
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461366
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide (CID 61461257) is 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NCCn2cccn2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide?
The InChIKey is QUIMTWMOXRGAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-10-12-2-4-13(5-3-12)11-20(18,19)16-7-9-17-8-1-6-15-17/h1-6,8,16H,7,9,11H2.
What are the key properties of 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2-pyrazol-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 61461257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).