1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine

C12H13Br2N3 — CID 115822012

IUPAC1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2cc(Br)ccc2Br)cn1
InChIInChI=1S/C12H13Br2N3/c1-17-7-8(6-16-17)4-12(15)10-5-9(13)2-3-11(10)14/h2-3,5-7,12H,4,15H2,1H3
InChIKeyLSWOWLDAXISPRX-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115822012) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115822012
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2cc(Br)ccc2Br)cn1
InChIInChI=1S/C12H13Br2N3/c1-17-7-8(6-16-17)4-12(15)10-5-9(13)2-3-11(10)14/h2-3,5-7,12H,4,15H2,1H3
InChIKeyLSWOWLDAXISPRX-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822181
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993
1-(2-iodophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821792
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 115822012) is 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CC(N)c2cc(Br)ccc2Br)cn1.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is LSWOWLDAXISPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-17-7-8(6-16-17)4-12(15)10-5-9(13)2-3-11(10)14/h2-3,5-7,12H,4,15H2,1H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 359.07 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).