(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol

C13H13Br2FN2O — CID 114885779

IUPAC(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1c(F)cccc1Br
InChIInChI=1S/C13H13Br2FN2O/c1-7(2)18-12(9(15)6-17-18)13(19)11-8(14)4-3-5-10(11)16/h3-7,13,19H,1-2H3
InChIKeyFLZVDXOWMYXTKU-UHFFFAOYSA-N
MW392.07 g/mol
LogP4.21
Rot. Bonds3

About (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol

(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 114885779) has the molecular formula C13H13Br2FN2O and a molecular weight of 392.07 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID114885779
Molecular FormulaC13H13Br2FN2O
Molecular Weight392.07 g/mol
Exact Mass389.94
IUPAC Name(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1c(F)cccc1Br
InChIInChI=1S/C13H13Br2FN2O/c1-7(2)18-12(9(15)6-17-18)13(19)11-8(14)4-3-5-10(11)16/h3-7,13,19H,1-2H3
InChIKeyFLZVDXOWMYXTKU-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114887114
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 114643528
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644213
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
CID 114638199
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol (CID 114885779) is (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol is CC(C)n1ncc(Br)c1C(O)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is FLZVDXOWMYXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2FN2O/c1-7(2)18-12(9(15)6-17-18)13(19)11-8(14)4-3-5-10(11)16/h3-7,13,19H,1-2H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 392.07 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 114885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).