2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol

C15H21N3O — CID 105103217

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cncc(C)c2)n1
InChIInChI=1S/C15H21N3O/c1-4-12(3)18-6-5-14(17-18)8-15(19)13-7-11(2)9-16-10-13/h5-7,9-10,12,15,19H,4,8H2,1-3H3
InChIKeyWWAGLSXBNRBVDE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.83
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 105103217) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
PubChem CID105103217
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cncc(C)c2)n1
InChIInChI=1S/C15H21N3O/c1-4-12(3)18-6-5-14(17-18)8-15(19)13-7-11(2)9-16-10-13/h5-7,9-10,12,15,19H,4,8H2,1-3H3
InChIKeyWWAGLSXBNRBVDE-UHFFFAOYSA-N
XLogP2.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105103311
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
CID 106859288
2-(1-cyclohexylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105102376
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 64784273
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115806384
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol (CID 105103217) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol is CCC(C)n1ccc(CC(O)c2cncc(C)c2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is WWAGLSXBNRBVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-12(3)18-6-5-14(17-18)8-15(19)13-7-11(2)9-16-10-13/h5-7,9-10,12,15,19H,4,8H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 105103217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).