1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol

C12H12Br2N2O — CID 107947322

IUPAC1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H12Br2N2O/c1-16-7-8(6-15-16)4-12(17)10-3-2-9(13)5-11(10)14/h2-3,5-7,12,17H,4H2,1H3
InChIKeyQKSWHAZZNPEUMD-UHFFFAOYSA-N
MW360.05 g/mol
LogP3.22
Rot. Bonds3

About 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol

1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 107947322) has the molecular formula C12H12Br2N2O and a molecular weight of 360.05 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID107947322
Molecular FormulaC12H12Br2N2O
Molecular Weight360.05 g/mol
Exact Mass357.93
IUPAC Name1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H12Br2N2O/c1-16-7-8(6-15-16)4-12(17)10-3-2-9(13)5-11(10)14/h2-3,5-7,12,17H,4H2,1H3
InChIKeyQKSWHAZZNPEUMD-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374
(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol
CID 107947298
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 107947585
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol
CID 107947600
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 63895824
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol (CID 107947322) is 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is QKSWHAZZNPEUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O/c1-16-7-8(6-15-16)4-12(17)10-3-2-9(13)5-11(10)14/h2-3,5-7,12,17H,4H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 360.05 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 107947322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).