5-methyl-1-(2-propylsulfonylethyl)pyrazole

C9H16N2O2S — CID 106731583

IUPAC5-methyl-1-(2-propylsulfonylethyl)pyrazole
SMILESCCCS(=O)(=O)CCn1nccc1C
InChIInChI=1S/C9H16N2O2S/c1-3-7-14(12,13)8-6-11-9(2)4-5-10-11/h4-5H,3,6-8H2,1-2H3
InChIKeyFLIAHAUQJSTVRN-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.02
Rot. Bonds5

About 5-methyl-1-(2-propylsulfonylethyl)pyrazole

5-methyl-1-(2-propylsulfonylethyl)pyrazole (PubChem CID 106731583) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-methyl-1-(2-propylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(2-propylsulfonylethyl)pyrazole
PubChem CID106731583
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name5-methyl-1-(2-propylsulfonylethyl)pyrazole
SMILESCCCS(=O)(=O)CCn1nccc1C
InChIInChI=1S/C9H16N2O2S/c1-3-7-14(12,13)8-6-11-9(2)4-5-10-11/h4-5H,3,6-8H2,1-2H3
InChIKeyFLIAHAUQJSTVRN-UHFFFAOYSA-N
XLogP1.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-propylsulfonylethyl)pyrazole?
The IUPAC name of 5-methyl-1-(2-propylsulfonylethyl)pyrazole (CID 106731583) is 5-methyl-1-(2-propylsulfonylethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(2-propylsulfonylethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(2-propylsulfonylethyl)pyrazole is CCCS(=O)(=O)CCn1nccc1C.
What is the InChIKey of 5-methyl-1-(2-propylsulfonylethyl)pyrazole?
The InChIKey is FLIAHAUQJSTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-7-14(12,13)8-6-11-9(2)4-5-10-11/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 5-methyl-1-(2-propylsulfonylethyl)pyrazole?
5-methyl-1-(2-propylsulfonylethyl)pyrazole has a molecular weight of 216.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-propylsulfonylethyl)pyrazole is sourced from PubChem (CID 106731583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).