3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine

C11H21N3O2S — CID 82702839

IUPAC3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
SMILESCCc1nn(CCS(=O)(=O)CC)c(CC)c1N
InChIInChI=1S/C11H21N3O2S/c1-4-9-11(12)10(5-2)14(13-9)7-8-17(15,16)6-3/h4-8,12H2,1-3H3
InChIKeyPWCITZXKTPTVFO-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.02
Rot. Bonds6

About 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine

3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine (PubChem CID 82702839) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
PubChem CID82702839
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
SMILESCCc1nn(CCS(=O)(=O)CC)c(CC)c1N
InChIInChI=1S/C11H21N3O2S/c1-4-9-11(12)10(5-2)14(13-9)7-8-17(15,16)6-3/h4-8,12H2,1-3H3
InChIKeyPWCITZXKTPTVFO-UHFFFAOYSA-N
XLogP1.02
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine (CID 82702839) is 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine is CCc1nn(CCS(=O)(=O)CC)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
The InChIKey is PWCITZXKTPTVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-9-11(12)10(5-2)14(13-9)7-8-17(15,16)6-3/h4-8,12H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine?
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine has a molecular weight of 259.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine is sourced from PubChem (CID 82702839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).