5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile

C12H9N5O2S — CID 751772

IUPAC5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile
SMILESCc1ccc(S(=O)(=O)n2nc(C#N)c(C#N)c2N)cc1
InChIInChI=1S/C12H9N5O2S/c1-8-2-4-9(5-3-8)20(18,19)17-12(15)10(6-13)11(7-14)16-17/h2-5H,15H2,1H3
InChIKeyFFNMPOIKNZFRIK-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.75
Rot. Bonds2

About 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile

5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile (PubChem CID 751772) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile
PubChem CID751772
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC Name5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile
SMILESCc1ccc(S(=O)(=O)n2nc(C#N)c(C#N)c2N)cc1
InChIInChI=1S/C12H9N5O2S/c1-8-2-4-9(5-3-8)20(18,19)17-12(15)10(6-13)11(7-14)16-17/h2-5H,15H2,1H3
InChIKeyFFNMPOIKNZFRIK-UHFFFAOYSA-N
XLogP0.75
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile?
The IUPAC name of 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile (CID 751772) is 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile.
What is the SMILES notation for 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile?
The canonical SMILES for 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile is Cc1ccc(S(=O)(=O)n2nc(C#N)c(C#N)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile?
The InChIKey is FFNMPOIKNZFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c1-8-2-4-9(5-3-8)20(18,19)17-12(15)10(6-13)11(7-14)16-17/h2-5H,15H2,1H3.
What are the key properties of 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile?
5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile has a molecular weight of 287.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methylphenyl)sulfonylpyrazole-3,4-dicarbonitrile is sourced from PubChem (CID 751772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).