2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

C16H25N3S — CID 105001762

IUPAC2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1ccc(C)s1
InChIInChI=1S/C16H25N3S/c1-5-13-10-14(19(7-3)18-13)11-15(17-6-2)16-9-8-12(4)20-16/h8-10,15,17H,5-7,11H2,1-4H3
InChIKeyFGNJXLUMSLDGCB-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.73
Rot. Bonds7

About 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine

2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 105001762) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID105001762
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1ccc(C)s1
InChIInChI=1S/C16H25N3S/c1-5-13-10-14(19(7-3)18-13)11-15(17-6-2)16-9-8-12(4)20-16/h8-10,15,17H,5-7,11H2,1-4H3
InChIKeyFGNJXLUMSLDGCB-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105001588
2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105001763
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105002467
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805474
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105002673
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine (CID 105001762) is 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is CCNC(Cc1cc(CC)nn1CC)c1ccc(C)s1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is FGNJXLUMSLDGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-13-10-14(19(7-3)18-13)11-15(17-6-2)16-9-8-12(4)20-16/h8-10,15,17H,5-7,11H2,1-4H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 291.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105001762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).