5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole

C8H13ClN2O2S — CID 66015518

IUPAC5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
SMILESCCc1cc(Cl)n(CCS(C)(=O)=O)n1
InChIInChI=1S/C8H13ClN2O2S/c1-3-7-6-8(9)11(10-7)4-5-14(2,12)13/h6H,3-5H2,1-2H3
InChIKeyXXIRJVMWXUQTAH-UHFFFAOYSA-N
MW236.72 g/mol
LogP1.14
Rot. Bonds4

About 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole

5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole (PubChem CID 66015518) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
PubChem CID66015518
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
SMILESCCc1cc(Cl)n(CCS(C)(=O)=O)n1
InChIInChI=1S/C8H13ClN2O2S/c1-3-7-6-8(9)11(10-7)4-5-14(2,12)13/h6H,3-5H2,1-2H3
InChIKeyXXIRJVMWXUQTAH-UHFFFAOYSA-N
XLogP1.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole?
The IUPAC name of 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole (CID 66015518) is 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole?
The canonical SMILES for 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole is CCc1cc(Cl)n(CCS(C)(=O)=O)n1.
What is the InChIKey of 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole?
The InChIKey is XXIRJVMWXUQTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S/c1-3-7-6-8(9)11(10-7)4-5-14(2,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole?
5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole has a molecular weight of 236.72 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole is sourced from PubChem (CID 66015518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).