2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine

C14H17BrClN3 — CID 102804459

IUPAC2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cn(C)nc1C
InChIInChI=1S/C14H17BrClN3/c1-9-12(8-19(3)18-9)14(17-2)6-10-4-5-11(15)7-13(10)16/h4-5,7-8,14,17H,6H2,1-3H3
InChIKeyLNSZLOISVKPEAT-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine

2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 102804459) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
PubChem CID102804459
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cn(C)nc1C
InChIInChI=1S/C14H17BrClN3/c1-9-12(8-19(3)18-9)14(17-2)6-10-4-5-11(15)7-13(10)16/h4-5,7-8,14,17H,6H2,1-3H3
InChIKeyLNSZLOISVKPEAT-UHFFFAOYSA-N
XLogP3.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-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

2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 106866587
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128151
1-(4-bromo-2-fluorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 114906319
[2-(3-chloro-4-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 102805005

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine (CID 102804459) is 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1cn(C)nc1C.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is LNSZLOISVKPEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-9-12(8-19(3)18-9)14(17-2)6-10-4-5-11(15)7-13(10)16/h4-5,7-8,14,17H,6H2,1-3H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine?
2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 342.67 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 102804459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).