5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole

C10H17ClN2O2S — CID 66014919

IUPAC5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole
SMILESCCc1nn(CCS(=O)(=O)CC)c(Cl)c1C
InChIInChI=1S/C10H17ClN2O2S/c1-4-9-8(3)10(11)13(12-9)6-7-16(14,15)5-2/h4-7H2,1-3H3
InChIKeyDNJYHEPECJYGAK-UHFFFAOYSA-N
MW264.78 g/mol
LogP1.84
Rot. Bonds5

About 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole

5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole (PubChem CID 66014919) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole
PubChem CID66014919
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Name5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole
SMILESCCc1nn(CCS(=O)(=O)CC)c(Cl)c1C
InChIInChI=1S/C10H17ClN2O2S/c1-4-9-8(3)10(11)13(12-9)6-7-16(14,15)5-2/h4-7H2,1-3H3
InChIKeyDNJYHEPECJYGAK-UHFFFAOYSA-N
XLogP1.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.84
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-ethylsulfonylethyl)-4-methylpyrazole?
The IUPAC name of 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole (CID 66014919) is 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole?
The canonical SMILES for 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole is CCc1nn(CCS(=O)(=O)CC)c(Cl)c1C.
What is the InChIKey of 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole?
The InChIKey is DNJYHEPECJYGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S/c1-4-9-8(3)10(11)13(12-9)6-7-16(14,15)5-2/h4-7H2,1-3H3.
What are the key properties of 5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole?
5-chloro-3-ethyl-1-(2-ethylsulfonylethyl)-4-methylpyrazole has a molecular weight of 264.78 g/mol, XLogP of 1.84, 5 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-ethylsulfonylethyl)-4-methylpyrazole is sourced from PubChem (CID 66014919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).