1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C14H16BrFN2O — CID 66424827

IUPAC1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H16BrFN2O/c1-9(2)18-4-3-13(17-18)8-14(19)10-5-11(15)7-12(16)6-10/h3-7,9,14,19H,8H2,1-2H3
InChIKeyRJXFZHIGRRRDAA-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.64
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 66424827) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID66424827
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C14H16BrFN2O/c1-9(2)18-4-3-13(17-18)8-14(19)10-5-11(15)7-12(16)6-10/h3-7,9,14,19H,8H2,1-2H3
InChIKeyRJXFZHIGRRRDAA-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230
1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771163
1-(4-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64773157
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691
1-(3-bromo-5-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 66425234
1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772954
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105103311
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 102830009
[1-(4-bromo-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312758
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 66424827) is 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2cc(F)cc(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is RJXFZHIGRRRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-9(2)18-4-3-13(17-18)8-14(19)10-5-11(15)7-12(16)6-10/h3-7,9,14,19H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 327.20 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 66424827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).