5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole

C8H10ClF3N2O2S — CID 66014920

IUPAC5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCCS(=O)(=O)CCn1nc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H10ClF3N2O2S/c1-2-17(15,16)4-3-14-7(9)5-6(13-14)8(10,11)12/h5H,2-4H2,1H3
InChIKeyMQGAMFUAWPRCLI-UHFFFAOYSA-N
MW290.69 g/mol
LogP1.99
Rot. Bonds4

About 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole

5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 66014920) has the molecular formula C8H10ClF3N2O2S and a molecular weight of 290.69 g/mol. Its IUPAC name is 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole
PubChem CID66014920
Molecular FormulaC8H10ClF3N2O2S
Molecular Weight290.69 g/mol
Exact Mass290.01
IUPAC Name5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole
SMILESCCS(=O)(=O)CCn1nc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H10ClF3N2O2S/c1-2-17(15,16)4-3-14-7(9)5-6(13-14)8(10,11)12/h5H,2-4H2,1H3
InChIKeyMQGAMFUAWPRCLI-UHFFFAOYSA-N
XLogP1.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole (CID 66014920) is 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole is CCS(=O)(=O)CCn1nc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is MQGAMFUAWPRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O2S/c1-2-17(15,16)4-3-14-7(9)5-6(13-14)8(10,11)12/h5H,2-4H2,1H3.
What are the key properties of 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole?
5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 290.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-ethylsulfonylethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66014920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).