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

C11H12BrN3O — CID 82870137

IUPAC1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cncc(Br)c2)n1
InChIInChI=1S/C11H12BrN3O/c1-15-3-2-10(14-15)5-11(16)8-4-9(12)7-13-6-8/h2-4,6-7,11,16H,5H2,1H3
InChIKeyVVECCDPXUSNQSO-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.85
Rot. Bonds3

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

1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 82870137) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID82870137
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cncc(Br)c2)n1
InChIInChI=1S/C11H12BrN3O/c1-15-3-2-10(14-15)5-11(16)8-4-9(12)7-13-6-8/h2-4,6-7,11,16H,5H2,1H3
InChIKeyVVECCDPXUSNQSO-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82868986
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105121099
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105103311
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 115828715

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol (CID 82870137) is 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)c2cncc(Br)c2)n1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is VVECCDPXUSNQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-3-2-10(14-15)5-11(16)8-4-9(12)7-13-6-8/h2-4,6-7,11,16H,5H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 282.14 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 82870137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).