1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine

C14H17BrClN3 — CID 104996334

IUPAC1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1cccc(Br)c1Cl
InChIInChI=1S/C14H17BrClN3/c1-9-7-10(19(3)18-9)8-13(17-2)11-5-4-6-12(15)14(11)16/h4-7,13,17H,8H2,1-3H3
InChIKeyKYYPPXLZXZCYRQ-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine

1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (PubChem CID 104996334) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
PubChem CID104996334
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1cccc(Br)c1Cl
InChIInChI=1S/C14H17BrClN3/c1-9-7-10(19(3)18-9)8-13(17-2)11-5-4-6-12(15)14(11)16/h4-7,13,17H,8H2,1-3H3
InChIKeyKYYPPXLZXZCYRQ-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

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Related Compounds

N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996392
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811518
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999176
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 114886219
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-quinoxalin-5-ylethanamine
CID 105158647
1-(3-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996322
1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
1-(3-bromo-2-chlorophenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997166
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (CID 104996334) is 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is CNC(Cc1cc(C)nn1C)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is KYYPPXLZXZCYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-9-7-10(19(3)18-9)8-13(17-2)11-5-4-6-12(15)14(11)16/h4-7,13,17H,8H2,1-3H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-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 1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 104996334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).