(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol

C14H17BrN2O2 — CID 102949340

IUPAC(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
SMILESCCn1cc(COc2cc(Br)ccc2[C@H](C)O)cn1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-8-11(7-16-17)9-19-14-6-12(15)4-5-13(14)10(2)18/h4-8,10,18H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyPIEKPGFYPCODRH-JTQLQIEISA-N
MW325.21 g/mol
LogP3.30
Rot. Bonds5

About (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol

(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 102949340) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
PubChem CID102949340
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
SMILESCCn1cc(COc2cc(Br)ccc2[C@H](C)O)cn1
InChIInChI=1S/C14H17BrN2O2/c1-3-17-8-11(7-16-17)9-19-14-6-12(15)4-5-13(14)10(2)18/h4-8,10,18H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyPIEKPGFYPCODRH-JTQLQIEISA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
(1R)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 55246681
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
CID 107283989
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
N-[[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 62126870
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol (CID 102949340) is (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol is CCn1cc(COc2cc(Br)ccc2[C@H](C)O)cn1.
What is the InChIKey of (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is PIEKPGFYPCODRH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-17-8-11(7-16-17)9-19-14-6-12(15)4-5-13(14)10(2)18/h4-8,10,18H,3,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol?
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 325.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102949340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).