1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

C15H17N3O — CID 103905207

IUPAC1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1cc2ccccc2o1)c1cn[nH]c1
InChIInChI=1S/C15H17N3O/c1-10(13-8-16-17-9-13)18-11(2)15-7-12-5-3-4-6-14(12)19-15/h3-11,18H,1-2H3,(H,16,17)
InChIKeyVATKGBLIKZIZKJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.57
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (PubChem CID 103905207) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
PubChem CID103905207
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1cc2ccccc2o1)c1cn[nH]c1
InChIInChI=1S/C15H17N3O/c1-10(13-8-16-17-9-13)18-11(2)15-7-12-5-3-4-6-14(12)19-15/h3-11,18H,1-2H3,(H,16,17)
InChIKeyVATKGBLIKZIZKJ-UHFFFAOYSA-N
XLogP3.57
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]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

(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353159
N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43205961
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103922087
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
1-(1-benzofuran-2-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43722038
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103905124
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905228
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (CID 103905207) is 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is CC(NC(C)c1cc2ccccc2o1)c1cn[nH]c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The InChIKey is VATKGBLIKZIZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(13-8-16-17-9-13)18-11(2)15-7-12-5-3-4-6-14(12)19-15/h3-11,18H,1-2H3,(H,16,17).
What are the key properties of 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103905207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).