1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine

C11H14BrN3O — CID 104996300

IUPAC1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(CC(N)c2ccc(Br)o2)n(C)n1
InChIInChI=1S/C11H14BrN3O/c1-7-5-8(15(2)14-7)6-9(13)10-3-4-11(12)16-10/h3-5,9H,6,13H2,1-2H3
InChIKeyJFQOLAGTJYDAFE-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.33
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine

1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 104996300) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID104996300
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(CC(N)c2ccc(Br)o2)n(C)n1
InChIInChI=1S/C11H14BrN3O/c1-7-5-8(15(2)14-7)6-9(13)10-3-4-11(12)16-10/h3-5,9H,6,13H2,1-2H3
InChIKeyJFQOLAGTJYDAFE-UHFFFAOYSA-N
XLogP2.33
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 107538733
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064809
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848714
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 104996061
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
(1R)-1-(5-bromofuran-2-yl)butan-1-amine;hydrochloride
CID 171200029

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine (CID 104996300) is 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine is Cc1cc(CC(N)c2ccc(Br)o2)n(C)n1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is JFQOLAGTJYDAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-5-8(15(2)14-7)6-9(13)10-3-4-11(12)16-10/h3-5,9H,6,13H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine?
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 284.16 g/mol, XLogP of 2.33, 3 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-(2,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104996300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).