1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

C16H18BrN3O — CID 103922096

IUPAC1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1c(CNC(C)c2cc3cc(Br)ccc3o2)cnn1C
InChIInChI=1S/C16H18BrN3O/c1-10(18-8-13-9-19-20(3)11(13)2)16-7-12-6-14(17)4-5-15(12)21-16/h4-7,9-10,18H,8H2,1-3H3
InChIKeyXOPVDHAQVVEBHI-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.09
Rot. Bonds4

About 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 103922096) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID103922096
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1c(CNC(C)c2cc3cc(Br)ccc3o2)cnn1C
InChIInChI=1S/C16H18BrN3O/c1-10(18-8-13-9-19-20(3)11(13)2)16-7-12-6-14(17)4-5-15(12)21-16/h4-7,9-10,18H,8H2,1-3H3
InChIKeyXOPVDHAQVVEBHI-UHFFFAOYSA-N
XLogP4.09
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]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

1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 86781091
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
CID 65036942
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103851647
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 43371437
1-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43104320
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,2-diethoxyethanamine
CID 79538274
1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
CID 103082635

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (CID 103922096) is 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is Cc1c(CNC(C)c2cc3cc(Br)ccc3o2)cnn1C.
What is the InChIKey of 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is XOPVDHAQVVEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10(18-8-13-9-19-20(3)11(13)2)16-7-12-6-14(17)4-5-15(12)21-16/h4-7,9-10,18H,8H2,1-3H3.
What are the key properties of 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 348.24 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103922096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).