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

C14H16BrFN2O — CID 64771163

IUPAC1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc(Br)ccc2F)n1
InChIInChI=1S/C14H16BrFN2O/c1-9(2)18-6-5-11(17-18)8-14(19)12-7-10(15)3-4-13(12)16/h3-7,9,14,19H,8H2,1-2H3
InChIKeyXKEGMMKVQSXFCT-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.64
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 64771163) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID64771163
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc(Br)ccc2F)n1
InChIInChI=1S/C14H16BrFN2O/c1-9(2)18-6-5-11(17-18)8-14(19)12-7-10(15)3-4-13(12)16/h3-7,9,14,19H,8H2,1-2H3
InChIKeyXKEGMMKVQSXFCT-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-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114906238
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
1-(4-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64773157
[1-(2,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312747
1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
[1-(5-bromo-2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 114033181
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114905960

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 64771163) is 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2cc(Br)ccc2F)n1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is XKEGMMKVQSXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-9(2)18-6-5-11(17-18)8-14(19)12-7-10(15)3-4-13(12)16/h3-7,9,14,19H,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64771163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).