2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol

C13H13Br3N2O — CID 107947600

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol
SMILESCc1nn(C)c(CC(O)c2ccc(Br)cc2Br)c1Br
InChIInChI=1S/C13H13Br3N2O/c1-7-13(16)11(18(2)17-7)6-12(19)9-4-3-8(14)5-10(9)15/h3-5,12,19H,6H2,1-2H3
InChIKeyIUFYGLCKICCSFS-UHFFFAOYSA-N
MW452.97 g/mol
LogP4.29
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol (PubChem CID 107947600) has the molecular formula C13H13Br3N2O and a molecular weight of 452.97 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol
PubChem CID107947600
Molecular FormulaC13H13Br3N2O
Molecular Weight452.97 g/mol
Exact Mass449.86
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol
SMILESCc1nn(C)c(CC(O)c2ccc(Br)cc2Br)c1Br
InChIInChI=1S/C13H13Br3N2O/c1-7-13(16)11(18(2)17-7)6-12(19)9-4-3-8(14)5-10(9)15/h3-5,12,19H,6H2,1-2H3
InChIKeyIUFYGLCKICCSFS-UHFFFAOYSA-N
XLogP4.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115814606
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115814385
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
CID 115814442
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 107947585
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol
CID 79438618
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025773
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dibromophenyl)ethanol
CID 115832431
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946702
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129440
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol (CID 107947600) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol is Cc1nn(C)c(CC(O)c2ccc(Br)cc2Br)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol?
The InChIKey is IUFYGLCKICCSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br3N2O/c1-7-13(16)11(18(2)17-7)6-12(19)9-4-3-8(14)5-10(9)15/h3-5,12,19H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol has a molecular weight of 452.97 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanol is sourced from PubChem (CID 107947600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).