1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine

C15H28BrN3O — CID 105043060

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
SMILESCCCCCCCCC(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C15H28BrN3O/c1-3-4-5-6-7-8-9-14(17)15-13(16)12-18-19(15)10-11-20-2/h12,14H,3-11,17H2,1-2H3
InChIKeyKEYPTOHQPHYBCN-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.04
Rot. Bonds11

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine (PubChem CID 105043060) has the molecular formula C15H28BrN3O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
PubChem CID105043060
Molecular FormulaC15H28BrN3O
Molecular Weight346.31 g/mol
Exact Mass345.14
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
SMILESCCCCCCCCC(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C15H28BrN3O/c1-3-4-5-6-7-8-9-14(17)15-13(16)12-18-19(15)10-11-20-2/h12,14H,3-11,17H2,1-2H3
InChIKeyKEYPTOHQPHYBCN-UHFFFAOYSA-N
XLogP4.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine 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-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propylpentan-1-amine
CID 105043059
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
CID 114032989
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine
CID 114660808
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-3-ylpropan-1-amine
CID 105184332
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylbutan-1-amine
CID 105042924
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypropyl]hydrazine
CID 105222964

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine (CID 105043060) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine is CCCCCCCCC(N)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine?
The InChIKey is KEYPTOHQPHYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3O/c1-3-4-5-6-7-8-9-14(17)15-13(16)12-18-19(15)10-11-20-2/h12,14H,3-11,17H2,1-2H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine is sourced from PubChem (CID 105043060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).