3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine

C12H23N3O2S — CID 82702521

IUPAC3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
SMILESCCc1nn(CCCS(=O)(=O)CC)c(CC)c1N
InChIInChI=1S/C12H23N3O2S/c1-4-10-12(13)11(5-2)15(14-10)8-7-9-18(16,17)6-3/h4-9,13H2,1-3H3
InChIKeyXDQOBRUFXITVLF-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.41
Rot. Bonds7

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

3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine (PubChem CID 82702521) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
PubChem CID82702521
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine
SMILESCCc1nn(CCCS(=O)(=O)CC)c(CC)c1N
InChIInChI=1S/C12H23N3O2S/c1-4-10-12(13)11(5-2)15(14-10)8-7-9-18(16,17)6-3/h4-9,13H2,1-3H3
InChIKeyXDQOBRUFXITVLF-UHFFFAOYSA-N
XLogP1.41
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
3,5-diethyl-1-(3-ethylsulfonylpropyl)-4-iodopyrazole
CID 82702565
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
CID 82698599
3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-amine
CID 82702206
ethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)hexanoate
CID 82702685
1-butyl-3,5-diethylpyrazole-4-sulfonamide
CID 82700722
1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
CID 82702120
3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
CID 106452722
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 79224877
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
1-[3,5-diethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697018

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine (CID 82702521) is 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine is CCc1nn(CCCS(=O)(=O)CC)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine?
The InChIKey is XDQOBRUFXITVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-10-12(13)11(5-2)15(14-10)8-7-9-18(16,17)6-3/h4-9,13H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine?
3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine has a molecular weight of 273.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-amine is sourced from PubChem (CID 82702521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).