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

C15H18Br2N2O2 — CID 102948378

IUPAC1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCn1nc(C)c(Br)c1COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C15H18Br2N2O2/c1-4-19-13(15(17)9(2)18-19)8-21-14-7-11(16)5-6-12(14)10(3)20/h5-7,10,20H,4,8H2,1-3H3
InChIKeyJSWBIIPEUBXXJB-UHFFFAOYSA-N
MW418.13 g/mol
LogP4.37
Rot. Bonds5

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

1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 102948378) has the molecular formula C15H18Br2N2O2 and a molecular weight of 418.13 g/mol. Its IUPAC name is 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID102948378
Molecular FormulaC15H18Br2N2O2
Molecular Weight418.13 g/mol
Exact Mass415.97
IUPAC Name1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCn1nc(C)c(Br)c1COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C15H18Br2N2O2/c1-4-19-13(15(17)9(2)18-19)8-21-14-7-11(16)5-6-12(14)10(3)20/h5-7,10,20H,4,8H2,1-3H3
InChIKeyJSWBIIPEUBXXJB-UHFFFAOYSA-N
XLogP4.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064
(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720247
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025773
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102948392
1-[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 102948491
(1R)-1-[4-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 102948817
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306
(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025659
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 102948378) is 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol is CCn1nc(C)c(Br)c1COc1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is JSWBIIPEUBXXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O2/c1-4-19-13(15(17)9(2)18-19)8-21-14-7-11(16)5-6-12(14)10(3)20/h5-7,10,20H,4,8H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 418.13 g/mol, XLogP of 4.37, 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-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).