4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole

C11H20N2O2S — CID 176754932

IUPAC4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole
SMILESCC(C)(C)Cc1cnn(CCS(C)(=O)=O)c1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)7-10-8-12-13(9-10)5-6-16(4,14)15/h8-9H,5-7H2,1-4H3
InChIKeyXEVOKBYLQGVQNG-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.52
Rot. Bonds4

About 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole

4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole (PubChem CID 176754932) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole
PubChem CID176754932
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole
SMILESCC(C)(C)Cc1cnn(CCS(C)(=O)=O)c1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)7-10-8-12-13(9-10)5-6-16(4,14)15/h8-9H,5-7H2,1-4H3
InChIKeyXEVOKBYLQGVQNG-UHFFFAOYSA-N
XLogP1.52
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole (CID 176754932) is 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole is CC(C)(C)Cc1cnn(CCS(C)(=O)=O)c1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole?
The InChIKey is XEVOKBYLQGVQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(2,3)7-10-8-12-13(9-10)5-6-16(4,14)15/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole?
4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole has a molecular weight of 244.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-(2-methylsulfonylethyl)pyrazole is sourced from PubChem (CID 176754932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).