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

C11H12BrN3O — CID 114554148

IUPAC2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H12BrN3O/c1-15-10(4-5-14-15)11(16)6-9-3-2-8(12)7-13-9/h2-5,7,11,16H,6H2,1H3
InChIKeyKQHQJAZQELMNPB-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.85
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 114554148) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID114554148
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H12BrN3O/c1-15-10(4-5-14-15)11(16)6-9-3-2-8(12)7-13-9/h2-5,7,11,16H,6H2,1H3
InChIKeyKQHQJAZQELMNPB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105126285
2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104802227
2-(5-bromo-2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554042
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
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
2-(5-ethyl-2-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114557095
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114165938
2-(5-bromo-2-pyridinyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105126130
2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol (CID 114554148) is 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)Cc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is KQHQJAZQELMNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-10(4-5-14-15)11(16)6-9-3-2-8(12)7-13-9/h2-5,7,11,16H,6H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(2-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 2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114554148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).