N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

C11H14BrN3O — CID 104694494

IUPACN-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1CCNCc1occc1Br
InChIInChI=1S/C11H14BrN3O/c1-15-9(3-6-14-15)2-5-13-8-11-10(12)4-7-16-11/h3-4,6-7,13H,2,5,8H2,1H3
InChIKeyRMDQJYIZCFNSNU-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.11
Rot. Bonds5

About N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 104694494) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID104694494
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1CCNCc1occc1Br
InChIInChI=1S/C11H14BrN3O/c1-15-9(3-6-14-15)2-5-13-8-11-10(12)4-7-16-11/h3-4,6-7,13H,2,5,8H2,1H3
InChIKeyRMDQJYIZCFNSNU-UHFFFAOYSA-N
XLogP2.11
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-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

N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005329
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
N-[(2-bromo-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694277
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694333
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
methyl 3-bromo-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzoate
CID 103006355
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106302950
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 104694494) is N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is Cn1nccc1CCNCc1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is RMDQJYIZCFNSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-15-9(3-6-14-15)2-5-13-8-11-10(12)4-7-16-11/h3-4,6-7,13H,2,5,8H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 284.16 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104694494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).