2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol

C16H14BrN3O — CID 104802318

IUPAC2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H14BrN3O/c17-12-6-7-13(18-9-12)8-15(21)14-10-19-20-16(14)11-4-2-1-3-5-11/h1-7,9-10,15,21H,8H2,(H,19,20)
InChIKeyUPPSMJGRFFHJQY-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.51
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol

2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol (PubChem CID 104802318) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol
PubChem CID104802318
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H14BrN3O/c17-12-6-7-13(18-9-12)8-15(21)14-10-19-20-16(14)11-4-2-1-3-5-11/h1-7,9-10,15,21H,8H2,(H,19,20)
InChIKeyUPPSMJGRFFHJQY-UHFFFAOYSA-N
XLogP3.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
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CID 104802241
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(5-bromo-2-pyridinyl)-1-(furan-2-yl)ethanol
CID 104800026
2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 104800540
1-(5-phenyl-1H-pyrazol-4-yl)butane-1,2,4-triol
CID 171873055
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969876
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanoic acid
CID 171878430
1-phenyl-2-(5-phenyl-2-pyridinyl)ethanol
CID 144927462
3,4-dihydroxy-4-(5-phenyl-1H-pyrazol-4-yl)butanenitrile
CID 171901720
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554148

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol (CID 104802318) is 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol is OC(Cc1ccc(Br)cn1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol?
The InChIKey is UPPSMJGRFFHJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-12-6-7-13(18-9-12)8-15(21)14-10-19-20-16(14)11-4-2-1-3-5-11/h1-7,9-10,15,21H,8H2,(H,19,20).
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol has a molecular weight of 344.21 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(5-phenyl-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 104802318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).