1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine

C10H16BrN3O — CID 114660808

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine
SMILESC=CCC(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C10H16BrN3O/c1-3-4-9(12)10-8(11)7-13-14(10)5-6-15-2/h3,7,9H,1,4-6,12H2,2H3
InChIKeyYTINTARIOISZCY-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.87
Rot. Bonds6

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine (PubChem CID 114660808) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine
PubChem CID114660808
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine
SMILESC=CCC(N)c1c(Br)cnn1CCOC
InChIInChI=1S/C10H16BrN3O/c1-3-4-9(12)10-8(11)7-13-14(10)5-6-15-2/h3,7,9H,1,4-6,12H2,2H3
InChIKeyYTINTARIOISZCY-UHFFFAOYSA-N
XLogP1.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-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-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
CID 114032989
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-4-en-1-one
CID 114670989
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propylpentan-1-amine
CID 105043059
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanamine
CID 114655524
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,6-trimethylphenyl)methanamine
CID 105043004
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,4-dichlorophenyl)ethanamine
CID 114646758
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanamine
CID 114648281
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]-(1-ethylpyrazol-4-yl)methanol
CID 114636984

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine (CID 114660808) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine is C=CCC(N)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine?
The InChIKey is YTINTARIOISZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-4-9(12)10-8(11)7-13-14(10)5-6-15-2/h3,7,9H,1,4-6,12H2,2H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]but-3-en-1-amine has a molecular weight of 274.16 g/mol, XLogP of 1.87, 6 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]but-3-en-1-amine is sourced from PubChem (CID 114660808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).