1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C16H19N3S — CID 104989989

IUPAC1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1ccc(CC(N)c2csc3ccccc23)n1
InChIInChI=1S/C16H19N3S/c1-11(2)19-8-7-12(18-19)9-15(17)14-10-20-16-6-4-3-5-13(14)16/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyGMCZAWDIDIBNAX-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.92
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 104989989) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID104989989
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1ccc(CC(N)c2csc3ccccc23)n1
InChIInChI=1S/C16H19N3S/c1-11(2)19-8-7-12(18-19)9-15(17)14-10-20-16-6-4-3-5-13(14)16/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyGMCZAWDIDIBNAX-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024
1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448229
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
1-(1-benzothiophen-3-yl)-2-(4-fluorophenyl)ethanamine
CID 43150893
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 104989989) is 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CC(C)n1ccc(CC(N)c2csc3ccccc23)n1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is GMCZAWDIDIBNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11(2)19-8-7-12(18-19)9-15(17)14-10-20-16-6-4-3-5-13(14)16/h3-8,10-11,15H,9,17H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104989989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).