2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine

C14H27N3O2S — CID 82698599

IUPAC2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCS(=O)(=O)CC)c(CC)c1CCN
InChIInChI=1S/C14H27N3O2S/c1-4-13-12(8-9-15)14(5-2)17(16-13)10-7-11-20(18,19)6-3/h4-11,15H2,1-3H3
InChIKeyTZYFQTPTCORIKL-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.33
Rot. Bonds9

About 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine

2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine (PubChem CID 82698599) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
PubChem CID82698599
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCS(=O)(=O)CC)c(CC)c1CCN
InChIInChI=1S/C14H27N3O2S/c1-4-13-12(8-9-15)14(5-2)17(16-13)10-7-11-20(18,19)6-3/h4-11,15H2,1-3H3
InChIKeyTZYFQTPTCORIKL-UHFFFAOYSA-N
XLogP1.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine (CID 82698599) is 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine is CCc1nn(CCCS(=O)(=O)CC)c(CC)c1CCN.
What is the InChIKey of 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine?
The InChIKey is TZYFQTPTCORIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-4-13-12(8-9-15)14(5-2)17(16-13)10-7-11-20(18,19)6-3/h4-11,15H2,1-3H3.
What are the key properties of 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine?
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82698599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).