2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol

C16H14BrN3O — CID 105126317

IUPAC2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H14BrN3O/c17-13-8-12(10-18-11-13)9-16(21)15-6-7-20(19-15)14-4-2-1-3-5-14/h1-8,10-11,16,21H,9H2
InChIKeyFLNJPUZUIIALDK-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.31
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol

2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol (PubChem CID 105126317) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
PubChem CID105126317
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H14BrN3O/c17-13-8-12(10-18-11-13)9-16(21)15-6-7-20(19-15)14-4-2-1-3-5-14/h1-8,10-11,16,21H,9H2
InChIKeyFLNJPUZUIIALDK-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
CID 105089447
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105120552
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
CID 104800043
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol (CID 105126317) is 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol is OC(Cc1cncc(Br)c1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol?
The InChIKey is FLNJPUZUIIALDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-8-12(10-18-11-13)9-16(21)15-6-7-20(19-15)14-4-2-1-3-5-14/h1-8,10-11,16,21H,9H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol has a molecular weight of 344.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105126317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).