2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine

C15H27N3S2 — CID 115388091

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1C)C1SCCSC1CC
InChIInChI=1S/C15H27N3S2/c1-5-14-15(20-8-7-19-14)13(16-6-2)10-12-9-11(3)17-18(12)4/h9,13-16H,5-8,10H2,1-4H3
InChIKeyAZOVOSBRAGXGTR-UHFFFAOYSA-N
MW313.54 g/mol
LogP2.88
Rot. Bonds6

About 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine (PubChem CID 115388091) has the molecular formula C15H27N3S2 and a molecular weight of 313.54 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
PubChem CID115388091
Molecular FormulaC15H27N3S2
Molecular Weight313.54 g/mol
Exact Mass313.16
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1C)C1SCCSC1CC
InChIInChI=1S/C15H27N3S2/c1-5-14-15(20-8-7-19-14)13(16-6-2)10-12-9-11(3)17-18(12)4/h9,13-16H,5-8,10H2,1-4H3
InChIKeyAZOVOSBRAGXGTR-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115388120
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965376
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996471
1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 107189434
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-2-thiophen-3-ylethanamine
CID 113299739
3-[2-(ethylamino)-2-(3-ethyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 115387989
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387938
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 115387887
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259988
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105158535
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thian-2-yl)ethanamine
CID 80627164

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine (CID 115388091) is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine is CCNC(Cc1cc(C)nn1C)C1SCCSC1CC.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is AZOVOSBRAGXGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S2/c1-5-14-15(20-8-7-19-14)13(16-6-2)10-12-9-11(3)17-18(12)4/h9,13-16H,5-8,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 313.54 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 115388091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).