2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine

C8H14BrN3O — CID 83843732

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine
SMILESCNCC(OC)c1c(Br)cnn1C
InChIInChI=1S/C8H14BrN3O/c1-10-5-7(13-3)8-6(9)4-11-12(8)2/h4,7,10H,5H2,1-3H3
InChIKeyYMDJLQFUJIJIDE-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.09
Rot. Bonds4

About 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine

2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine (PubChem CID 83843732) has the molecular formula C8H14BrN3O and a molecular weight of 248.12 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine
PubChem CID83843732
Molecular FormulaC8H14BrN3O
Molecular Weight248.12 g/mol
Exact Mass247.03
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine
SMILESCNCC(OC)c1c(Br)cnn1C
InChIInChI=1S/C8H14BrN3O/c1-10-5-7(13-3)8-6(9)4-11-12(8)2/h4,7,10H,5H2,1-3H3
InChIKeyYMDJLQFUJIJIDE-UHFFFAOYSA-N
XLogP1.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine 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-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
2-methoxy-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83827130
3-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114663035
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114661565
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxypentyl]hydrazine
CID 105271805
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 114645635
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine (CID 83843732) is 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine is CNCC(OC)c1c(Br)cnn1C.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine?
The InChIKey is YMDJLQFUJIJIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O/c1-10-5-7(13-3)8-6(9)4-11-12(8)2/h4,7,10H,5H2,1-3H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine?
2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine has a molecular weight of 248.12 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 83843732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).