1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide

C13H14N4O2S — CID 115909173

IUPAC1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1C
InChIInChI=1S/C13H14N4O2S/c1-9-10(2)15-16-13(9)17-20(18,19)8-12-5-3-11(7-14)4-6-12/h3-6H,8H2,1-2H3,(H2,15,16,17)
InChIKeyJDZXWOHHOMJSIS-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.84
Rot. Bonds4

About 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide

1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 115909173) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID115909173
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1C
InChIInChI=1S/C13H14N4O2S/c1-9-10(2)15-16-13(9)17-20(18,19)8-12-5-3-11(7-14)4-6-12/h3-6H,8H2,1-2H3,(H2,15,16,17)
InChIKeyJDZXWOHHOMJSIS-UHFFFAOYSA-N
XLogP1.84
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 86791972
1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide
CID 79503770
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579
1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
CID 115972431
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
1-(4-cyanophenyl)-N-(1,3-dimethylpyrazol-4-yl)methanesulfonamide
CID 102805690
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide
CID 75448897
1-(4-cyanophenyl)-N-[3-(dimethylamino)-2-methylphenyl]methanesulfonamide
CID 75445257

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide (CID 115909173) is 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide is Cc1[nH]nc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1C.
What is the InChIKey of 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is JDZXWOHHOMJSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-10(2)15-16-13(9)17-20(18,19)8-12-5-3-11(7-14)4-6-12/h3-6H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide?
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 115909173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).