1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

C16H18BrFN2O — CID 66425230

IUPAC1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H18BrFN2O/c17-12-7-11(8-13(18)9-12)16(21)10-14-5-6-20(19-14)15-3-1-2-4-15/h5-9,15-16,21H,1-4,10H2
InChIKeyWWZVCCVSOZGSIM-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.18
Rot. Bonds4

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

1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (PubChem CID 66425230) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
PubChem CID66425230
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H18BrFN2O/c17-12-7-11(8-13(18)9-12)16(21)10-14-5-6-20(19-14)15-3-1-2-4-15/h5-9,15-16,21H,1-4,10H2
InChIKeyWWZVCCVSOZGSIM-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
2-(1-cyclohexylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105102376
1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785466
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (CID 66425230) is 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is OC(Cc1ccn(C2CCCC2)n1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The InChIKey is WWZVCCVSOZGSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c17-12-7-11(8-13(18)9-12)16(21)10-14-5-6-20(19-14)15-3-1-2-4-15/h5-9,15-16,21H,1-4,10H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol has a molecular weight of 353.24 g/mol, XLogP of 4.18, 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-cyclopentylpyrazol-3-yl)ethanol is sourced from PubChem (CID 66425230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).