2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol

C13H15BrN2O2 — CID 114554042

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccnn1C
InChIInChI=1S/C13H15BrN2O2/c1-16-11(5-6-15-16)12(17)8-9-7-10(14)3-4-13(9)18-2/h3-7,12,17H,8H2,1-2H3
InChIKeyNTTREPKEBQZTKR-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.47
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol

2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 114554042) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID114554042
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1ccnn1C
InChIInChI=1S/C13H15BrN2O2/c1-16-11(5-6-15-16)12(17)8-9-7-10(14)3-4-13(9)18-2/h3-7,12,17H,8H2,1-2H3
InChIKeyNTTREPKEBQZTKR-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105110600
2-(5-bromo-2-methoxyphenyl)-1-(2-methyltriazol-4-yl)ethanol
CID 112735939
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554148
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81320149
2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893813
5-[[(S)-(5-bromo-2-methoxyphenyl)methylsulfinyl]methyl]-1-methylpyrazole
CID 99588108
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 114554042) is 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol is COc1ccc(Br)cc1CC(O)c1ccnn1C.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is NTTREPKEBQZTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-16-11(5-6-15-16)12(17)8-9-7-10(14)3-4-13(9)18-2/h3-7,12,17H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 311.18 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114554042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).