2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine

C13H16BrN3O — CID 117123584

IUPAC2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)c(C)nn1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3O/c1-9-10(7-8-15)13(18-2)17(16-9)12-6-4-3-5-11(12)14/h3-6H,7-8,15H2,1-2H3
InChIKeyKRFGIWHAGKCWHK-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.45
Rot. Bonds4

About 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine

2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine (PubChem CID 117123584) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
PubChem CID117123584
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)c(C)nn1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3O/c1-9-10(7-8-15)13(18-2)17(16-9)12-6-4-3-5-11(12)14/h3-6H,7-8,15H2,1-2H3
InChIKeyKRFGIWHAGKCWHK-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-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

2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
2-[1-(4-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117124197
3-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79224848
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
2-[1-(2-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489373
[1-(2-bromophenyl)-5-methoxypyrazol-4-yl]methanamine
CID 115006431
[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
CID 117123519
1-(2-bromophenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 66023034
methyl 2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381058
1-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61271337
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine (CID 117123584) is 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine is COc1c(CCN)c(C)nn1-c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine?
The InChIKey is KRFGIWHAGKCWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-9-10(7-8-15)13(18-2)17(16-9)12-6-4-3-5-11(12)14/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine?
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine has a molecular weight of 310.19 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 117123584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).