2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine

C17H25N3O — CID 104987859

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccn(C3CCCCC3)n2)c(C)o1
InChIInChI=1S/C17H25N3O/c1-12-10-16(13(2)21-12)17(18)11-14-8-9-20(19-14)15-6-4-3-5-7-15/h8-10,15,17H,3-7,11,18H2,1-2H3
InChIKeyZBIFOYQJTGRREY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.84
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine

2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 104987859) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID104987859
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccn(C3CCCCC3)n2)c(C)o1
InChIInChI=1S/C17H25N3O/c1-12-10-16(13(2)21-12)17(18)11-14-8-9-20(19-14)15-6-4-3-5-7-15/h8-10,15,17H,3-7,11,18H2,1-2H3
InChIKeyZBIFOYQJTGRREY-UHFFFAOYSA-N
XLogP3.84
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993969
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994021
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104987899
1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 64777846

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 104987859) is 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(N)Cc2ccn(C3CCCCC3)n2)c(C)o1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is ZBIFOYQJTGRREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-10-16(13(2)21-12)17(18)11-14-8-9-20(19-14)15-6-4-3-5-7-15/h8-10,15,17H,3-7,11,18H2,1-2H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 104987859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).