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

C13H15BrN2O2 — CID 82866339

IUPAC1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1ccn(C)n1
InChIInChI=1S/C13H15BrN2O2/c1-9(17)12-7-10(14)3-4-13(12)18-8-11-5-6-16(2)15-11/h3-7,9,17H,8H2,1-2H3
InChIKeyRWCYUXYHLMFVTP-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.81
Rot. Bonds4

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

1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 82866339) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID82866339
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCc1ccn(C)n1
InChIInChI=1S/C13H15BrN2O2/c1-9(17)12-7-10(14)3-4-13(12)18-8-11-5-6-16(2)15-11/h3-7,9,17H,8H2,1-2H3
InChIKeyRWCYUXYHLMFVTP-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-methylpyrazol-3-yl)methoxy]-5-nitrophenyl]ethanol
CID 116541942
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025773
5-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanenitrile
CID 62378839
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 63986899
2-[[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 63366051
(1S)-1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 79027106
(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025659
1-[5-bromo-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82887023
(1S)-1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043932

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 82866339) is 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol is CC(O)c1cc(Br)ccc1OCc1ccn(C)n1.
What is the InChIKey of 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is RWCYUXYHLMFVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-9(17)12-7-10(14)3-4-13(12)18-8-11-5-6-16(2)15-11/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 311.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 82866339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).