1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol

C15H19BrN2O2 — CID 102948377

IUPAC1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1cc(COc2cc(Br)ccc2C(C)O)n(C)n1
InChIInChI=1S/C15H19BrN2O2/c1-4-12-8-13(18(3)17-12)9-20-15-7-11(16)5-6-14(15)10(2)19/h5-8,10,19H,4,9H2,1-3H3
InChIKeyYJULOZKWHWQDHB-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.38
Rot. Bonds5

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

1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 102948377) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID102948377
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1cc(COc2cc(Br)ccc2C(C)O)n(C)n1
InChIInChI=1S/C15H19BrN2O2/c1-4-12-8-13(18(3)17-12)9-20-15-7-11(16)5-6-14(15)10(2)19/h5-8,10,19H,4,9H2,1-3H3
InChIKeyYJULOZKWHWQDHB-UHFFFAOYSA-N
XLogP3.38
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 102946267
1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107719825
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 102948495
(1S)-1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043932
1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102948392
(1R)-1-[4-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948548
1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948213
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948378
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 102948377) is 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol is CCc1cc(COc2cc(Br)ccc2C(C)O)n(C)n1.
What is the InChIKey of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is YJULOZKWHWQDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-12-8-13(18(3)17-12)9-20-15-7-11(16)5-6-14(15)10(2)19/h5-8,10,19H,4,9H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 339.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).