1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine

C13H18BrN3O — CID 104989801

IUPAC1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2ccc(Br)o2)n1
InChIInChI=1S/C13H18BrN3O/c1-3-9(2)17-7-6-10(16-17)8-11(15)12-4-5-13(14)18-12/h4-7,9,11H,3,8,15H2,1-2H3
InChIKeyABKKHHOCFFQYOG-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.45
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine

1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 104989801) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
PubChem CID104989801
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2ccc(Br)o2)n1
InChIInChI=1S/C13H18BrN3O/c1-3-9(2)17-7-6-10(16-17)8-11(15)12-4-5-13(14)18-12/h4-7,9,11H,3,8,15H2,1-2H3
InChIKeyABKKHHOCFFQYOG-UHFFFAOYSA-N
XLogP3.45
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
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2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
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2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
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CID 64991110
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
3-(3-bromobutyl)-1-butan-2-ylpyrazole
CID 64779633
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine (CID 104989801) is 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine is CCC(C)n1ccc(CC(N)c2ccc(Br)o2)n1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is ABKKHHOCFFQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-3-9(2)17-7-6-10(16-17)8-11(15)12-4-5-13(14)18-12/h4-7,9,11H,3,8,15H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine?
1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 312.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104989801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).