N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide

C13H14N4O2S — CID 86791972

IUPACN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2n[nH]c(C)c2C#N)c1
InChIInChI=1S/C13H14N4O2S/c1-9-4-3-5-11(6-9)8-20(18,19)17-13-12(7-14)10(2)15-16-13/h3-6H,8H2,1-2H3,(H2,15,16,17)
InChIKeyQIUQTGBPALVPBF-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.84
Rot. Bonds4

About N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide

N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 86791972) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID86791972
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2n[nH]c(C)c2C#N)c1
InChIInChI=1S/C13H14N4O2S/c1-9-4-3-5-11(6-9)8-20(18,19)17-13-12(7-14)10(2)15-16-13/h3-6H,8H2,1-2H3,(H2,15,16,17)
InChIKeyQIUQTGBPALVPBF-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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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide (CID 86791972) is N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2n[nH]c(C)c2C#N)c1.
What is the InChIKey of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is QIUQTGBPALVPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-4-3-5-11(6-9)8-20(18,19)17-13-12(7-14)10(2)15-16-13/h3-6H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide?
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)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 N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 86791972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).