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

C13H13Br2FN2O — CID 115814442

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
SMILESCc1nn(C)c(CC(O)c2cccc(F)c2Br)c1Br
InChIInChI=1S/C13H13Br2FN2O/c1-7-12(14)10(18(2)17-7)6-11(19)8-4-3-5-9(16)13(8)15/h3-5,11,19H,6H2,1-2H3
InChIKeyXQZNSKLCWNJFHG-UHFFFAOYSA-N
MW392.07 g/mol
LogP3.67
Rot. Bonds3

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

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol (PubChem CID 115814442) has the molecular formula C13H13Br2FN2O and a molecular weight of 392.07 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
PubChem CID115814442
Molecular FormulaC13H13Br2FN2O
Molecular Weight392.07 g/mol
Exact Mass389.94
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
SMILESCc1nn(C)c(CC(O)c2cccc(F)c2Br)c1Br
InChIInChI=1S/C13H13Br2FN2O/c1-7-12(14)10(18(2)17-7)6-11(19)8-4-3-5-9(16)13(8)15/h3-5,11,19H,6H2,1-2H3
InChIKeyXQZNSKLCWNJFHG-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 53.67
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-(2,4-dibromophenyl)ethanol
CID 107947600
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
CID 107953264
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094
1-(2-bromo-3-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814180
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107538274
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070826
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 105000219
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103386

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol (CID 115814442) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol is Cc1nn(C)c(CC(O)c2cccc(F)c2Br)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol?
The InChIKey is XQZNSKLCWNJFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2FN2O/c1-7-12(14)10(18(2)17-7)6-11(19)8-4-3-5-9(16)13(8)15/h3-5,11,19H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol has a molecular weight of 392.07 g/mol, XLogP of 3.67, 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-bromo-3-fluorophenyl)ethanol is sourced from PubChem (CID 115814442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).