1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C16H21BrFN3 — CID 105002683

IUPAC1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)c1cc(F)ccc1Br
InChIInChI=1S/C16H21BrFN3/c1-4-19-16(14-9-12(18)6-7-15(14)17)10-13-8-11(3)20-21(13)5-2/h6-9,16,19H,4-5,10H2,1-3H3
InChIKeyWMNBRHOWTXMQBH-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.01
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105002683) has the molecular formula C16H21BrFN3 and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105002683
Molecular FormulaC16H21BrFN3
Molecular Weight354.27 g/mol
Exact Mass353.09
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)c1cc(F)ccc1Br
InChIInChI=1S/C16H21BrFN3/c1-4-19-16(14-9-12(18)6-7-15(14)17)10-13-8-11(3)20-21(13)5-2/h6-9,16,19H,4-5,10H2,1-3H3
InChIKeyWMNBRHOWTXMQBH-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002758
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002651
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002645
1-(2-bromo-5-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 105002601
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002816
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002769
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63526766
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105162407

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105002683) is 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCNC(Cc1cc(C)nn1CC)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is WMNBRHOWTXMQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN3/c1-4-19-16(14-9-12(18)6-7-15(14)17)10-13-8-11(3)20-21(13)5-2/h6-9,16,19H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 354.27 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105002683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).