1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol

C12H13BrN2O — CID 63962623

IUPAC1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(C)(O)c1ccccc1Br
InChIInChI=1S/C12H13BrN2O/c1-12(16,11-7-8-14-15(11)2)9-5-3-4-6-10(9)13/h3-8,16H,1-2H3
InChIKeyRZLSXYSMXDBXMD-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.44
Rot. Bonds2

About 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol

1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 63962623) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID63962623
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(C)(O)c1ccccc1Br
InChIInChI=1S/C12H13BrN2O/c1-12(16,11-7-8-14-15(11)2)9-5-3-4-6-10(9)13/h3-8,16H,1-2H3
InChIKeyRZLSXYSMXDBXMD-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 63962623) is 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(C)(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is RZLSXYSMXDBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-12(16,11-7-8-14-15(11)2)9-5-3-4-6-10(9)13/h3-8,16H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol?
1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 281.15 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63962623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).