1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine

C13H15BrClN3 — CID 115822181

IUPAC1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cc(Br)ccc2Cl)cn1
InChIInChI=1S/C13H15BrClN3/c1-2-18-8-9(7-17-18)5-13(16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13H,2,5,16H2,1H3
InChIKeyYMNJMGCZKSHYKA-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.56
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine

1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822181) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822181
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cc(Br)ccc2Cl)cn1
InChIInChI=1S/C13H15BrClN3/c1-2-18-8-9(7-17-18)5-13(16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13H,2,5,16H2,1H3
InChIKeyYMNJMGCZKSHYKA-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dibromophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291385
1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822078
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012
N-[1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822076
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822910
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
[1-(2,4-dichlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291296

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822181) is 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(CC(N)c2cc(Br)ccc2Cl)cn1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is YMNJMGCZKSHYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-2-18-8-9(7-17-18)5-13(16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13H,2,5,16H2,1H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 328.64 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).