1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

C13H15BrFN3 — CID 103901299

IUPAC1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1ccc(F)cc1Br
InChIInChI=1S/C13H15BrFN3/c1-10(12-4-3-11(15)9-13(12)14)16-6-8-18-7-2-5-17-18/h2-5,7,9-10,16H,6,8H2,1H3
InChIKeyBPZLXEOAMMGYOH-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.14
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 103901299) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID103901299
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1ccc(F)cc1Br
InChIInChI=1S/C13H15BrFN3/c1-10(12-4-3-11(15)9-13(12)14)16-6-8-18-7-2-5-17-18/h2-5,7,9-10,16H,6,8H2,1H3
InChIKeyBPZLXEOAMMGYOH-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 83117451
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
1-(2-bromo-4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103778176
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 114068412
1-(2-bromo-4-fluorophenyl)-N-(2-ethylsulfinylethyl)ethanamine
CID 103783157
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
1-(3-bromo-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459542
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 103775939
N-[1-(2-bromo-4-fluorophenyl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 103904216
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 103901299) is 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is CC(NCCn1cccn1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is BPZLXEOAMMGYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-10(12-4-3-11(15)9-13(12)14)16-6-8-18-7-2-5-17-18/h2-5,7,9-10,16H,6,8H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 312.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 103901299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).