1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

C13H16BrN3 — CID 82876754

IUPAC1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-15-13(9-12-7-8-17(2)16-12)10-3-5-11(14)6-4-10/h3-8,13,15H,9H2,1-2H3
InChIKeyXKOFYGUYYVQDAO-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82876754) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82876754
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-15-13(9-12-7-8-17(2)16-12)10-3-5-11(14)6-4-10/h3-8,13,15H,9H2,1-2H3
InChIKeyXKOFYGUYYVQDAO-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-N-methyl-2-(1-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

1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877389
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025275
2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propanoic acid
CID 82868711
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114024237
N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 82870027
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025271
N-methyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876706
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
[1-(5-bromo-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105267716
[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329446
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-4-yl)ethanamine
CID 82876547

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 82876754) is 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is XKOFYGUYYVQDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-15-13(9-12-7-8-17(2)16-12)10-3-5-11(14)6-4-10/h3-8,13,15H,9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82876754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).