1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole

C9H16N2O3S — CID 106732656

IUPAC1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole
SMILESCC(C)S(=O)(=O)CCOc1cnn(C)c1
InChIInChI=1S/C9H16N2O3S/c1-8(2)15(12,13)5-4-14-9-6-10-11(3)7-9/h6-8H,4-5H2,1-3H3
InChIKeyOLYOZHBWEYTJGC-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.62
Rot. Bonds5

About 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole

1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole (PubChem CID 106732656) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole
PubChem CID106732656
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole
SMILESCC(C)S(=O)(=O)CCOc1cnn(C)c1
InChIInChI=1S/C9H16N2O3S/c1-8(2)15(12,13)5-4-14-9-6-10-11(3)7-9/h6-8H,4-5H2,1-3H3
InChIKeyOLYOZHBWEYTJGC-UHFFFAOYSA-N
XLogP0.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole (CID 106732656) is 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole is CC(C)S(=O)(=O)CCOc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole?
The InChIKey is OLYOZHBWEYTJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8(2)15(12,13)5-4-14-9-6-10-11(3)7-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole?
1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole has a molecular weight of 232.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-ylsulfonylethoxy)pyrazole is sourced from PubChem (CID 106732656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).