2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine

C11H20BrN3O — CID 114662830

IUPAC2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCCn1ncc(Br)c1CCNCCOC
InChIInChI=1S/C11H20BrN3O/c1-3-7-15-11(10(12)9-14-15)4-5-13-6-8-16-2/h9,13H,3-8H2,1-2H3
InChIKeyYTAHJHRSVOAQIA-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.83
Rot. Bonds8

About 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine

2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 114662830) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID114662830
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCCn1ncc(Br)c1CCNCCOC
InChIInChI=1S/C11H20BrN3O/c1-3-7-15-11(10(12)9-14-15)4-5-13-6-8-16-2/h9,13H,3-8H2,1-2H3
InChIKeyYTAHJHRSVOAQIA-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)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-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662838
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126
N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
CID 114652221
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
CID 114665364
(E)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)but-3-en-1-amine
CID 114666292
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
CID 114664967
(Z)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)pent-3-en-1-amine
CID 114666344
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(propylamino)ethanone
CID 114668870

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine (CID 114662830) is 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine is CCCn1ncc(Br)c1CCNCCOC.
What is the InChIKey of 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is YTAHJHRSVOAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-3-7-15-11(10(12)9-14-15)4-5-13-6-8-16-2/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 290.20 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 114662830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).