1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine

C15H20BrN3O — CID 63050307

IUPAC1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCCn1cc(COc2ccc(CC(C)N)cc2Br)cn1
InChIInChI=1S/C15H20BrN3O/c1-3-19-9-13(8-18-19)10-20-15-5-4-12(6-11(2)17)7-14(15)16/h4-5,7-9,11H,3,6,10,17H2,1-2H3
InChIKeyFREGVGOKAVUYQR-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.13
Rot. Bonds6

About 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine

1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine (PubChem CID 63050307) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
PubChem CID63050307
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCCn1cc(COc2ccc(CC(C)N)cc2Br)cn1
InChIInChI=1S/C15H20BrN3O/c1-3-19-9-13(8-18-19)10-20-15-5-4-12(6-11(2)17)7-14(15)16/h4-5,7-9,11H,3,6,10,17H2,1-2H3
InChIKeyFREGVGOKAVUYQR-UHFFFAOYSA-N
XLogP3.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzaldehyde
CID 55147721
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
N-[[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 62126870
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701248
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
4-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62126933
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
CID 107283989
1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63422291

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine (CID 63050307) is 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine is CCn1cc(COc2ccc(CC(C)N)cc2Br)cn1.
What is the InChIKey of 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is FREGVGOKAVUYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-19-9-13(8-18-19)10-20-15-5-4-12(6-11(2)17)7-14(15)16/h4-5,7-9,11H,3,6,10,17H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 338.25 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 63050307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).