1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

C14H18BrN3O — CID 104993969

IUPAC1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1ccc(Br)o1
InChIInChI=1S/C14H18BrN3O/c15-14-6-5-13(19-14)12(16)9-10-7-8-18(17-10)11-3-1-2-4-11/h5-8,11-12H,1-4,9,16H2
InChIKeyZFOFXQTUMOJDJP-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.60
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (PubChem CID 104993969) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
PubChem CID104993969
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1ccc(Br)o1
InChIInChI=1S/C14H18BrN3O/c15-14-6-5-13(19-14)12(16)9-10-7-8-18(17-10)11-3-1-2-4-11/h5-8,11-12H,1-4,9,16H2
InChIKeyZFOFXQTUMOJDJP-UHFFFAOYSA-N
XLogP3.60
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 104987894
1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 64777846
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104987859
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (CID 104993969) is 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is NC(Cc1ccn(C2CCCC2)n1)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The InChIKey is ZFOFXQTUMOJDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-14-6-5-13(19-14)12(16)9-10-7-8-18(17-10)11-3-1-2-4-11/h5-8,11-12H,1-4,9,16H2.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.60, 4 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-cyclopentylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104993969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).