1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine

C15H19BrFN3O — CID 107715669

IUPAC1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
SMILESCCn1nc(C)c(Br)c1COc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H19BrFN3O/c1-4-20-14(15(16)10(3)19-20)8-21-11-5-6-12(9(2)18)13(17)7-11/h5-7,9H,4,8,18H2,1-3H3
InChIKeyYGLOSHICDMAWMH-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.71
Rot. Bonds5

About 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine

1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine (PubChem CID 107715669) has the molecular formula C15H19BrFN3O and a molecular weight of 356.24 g/mol. Its IUPAC name is 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
PubChem CID107715669
Molecular FormulaC15H19BrFN3O
Molecular Weight356.24 g/mol
Exact Mass355.07
IUPAC Name1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine
SMILESCCn1nc(C)c(Br)c1COc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H19BrFN3O/c1-4-20-14(15(16)10(3)19-20)8-21-11-5-6-12(9(2)18)13(17)7-11/h5-7,9H,4,8,18H2,1-3H3
InChIKeyYGLOSHICDMAWMH-UHFFFAOYSA-N
XLogP3.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720247
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-methoxyaniline
CID 103201314
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2,3-dihydroinden-1-one
CID 107684157
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948378
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698635
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine (CID 107715669) is 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine is CCn1nc(C)c(Br)c1COc1ccc(C(C)N)c(F)c1.
What is the InChIKey of 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
The InChIKey is YGLOSHICDMAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O/c1-4-20-14(15(16)10(3)19-20)8-21-11-5-6-12(9(2)18)13(17)7-11/h5-7,9H,4,8,18H2,1-3H3.
What are the key properties of 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine?
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine has a molecular weight of 356.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107715669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).