5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile

C11H10N4O2S — CID 58285154

IUPAC5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile
SMILESCS(=O)(=O)c1ccc(Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C11H10N4O2S/c1-18(16,17)10-4-2-9(3-5-10)14-11-8(6-12)7-13-15-11/h2-5,7H,1H3,(H2,13,14,15)
InChIKeyZZSIJVGZAUIVQF-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.43
Rot. Bonds3

About 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile

5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile (PubChem CID 58285154) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile
PubChem CID58285154
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile
SMILESCS(=O)(=O)c1ccc(Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C11H10N4O2S/c1-18(16,17)10-4-2-9(3-5-10)14-11-8(6-12)7-13-15-11/h2-5,7H,1H3,(H2,13,14,15)
InChIKeyZZSIJVGZAUIVQF-UHFFFAOYSA-N
XLogP1.43
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile (CID 58285154) is 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile is CS(=O)(=O)c1ccc(Nc2[nH]ncc2C#N)cc1.
What is the InChIKey of 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile?
The InChIKey is ZZSIJVGZAUIVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-18(16,17)10-4-2-9(3-5-10)14-11-8(6-12)7-13-15-11/h2-5,7H,1H3,(H2,13,14,15).
What are the key properties of 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile?
5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 58285154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).