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

C13H25N3O2S — CID 79224877

IUPAC2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCS(=O)(=O)CC)c(CC)c1CCN
InChIInChI=1S/C13H25N3O2S/c1-4-12-11(7-8-14)13(5-2)16(15-12)9-10-19(17,18)6-3/h4-10,14H2,1-3H3
InChIKeyYULVMAODFZRCIM-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.94
Rot. Bonds8

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

2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine (PubChem CID 79224877) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
PubChem CID79224877
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCS(=O)(=O)CC)c(CC)c1CCN
InChIInChI=1S/C13H25N3O2S/c1-4-12-11(7-8-14)13(5-2)16(15-12)9-10-19(17,18)6-3/h4-10,14H2,1-3H3
InChIKeyYULVMAODFZRCIM-UHFFFAOYSA-N
XLogP0.94
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.94
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-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine (CID 79224877) is 2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine is CCc1nn(CCS(=O)(=O)CC)c(CC)c1CCN.
What is the InChIKey of 2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
The InChIKey is YULVMAODFZRCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-12-11(7-8-14)13(5-2)16(15-12)9-10-19(17,18)6-3/h4-10,14H2,1-3H3.
What are the key properties of 2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine?
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 0.94, 8 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-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 79224877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).