2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

C15H22N4O — CID 105103223

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cc(C)nnc2C)n1
InChIInChI=1S/C15H22N4O/c1-5-11(3)19-7-6-13(18-19)9-15(20)14-8-10(2)16-17-12(14)4/h6-8,11,15,20H,5,9H2,1-4H3
InChIKeySKKFLNPJFUKNGD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.54
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (PubChem CID 105103223) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
PubChem CID105103223
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2cc(C)nnc2C)n1
InChIInChI=1S/C15H22N4O/c1-5-11(3)19-7-6-13(18-19)9-15(20)14-8-10(2)16-17-12(14)4/h6-8,11,15,20H,5,9H2,1-4H3
InChIKeySKKFLNPJFUKNGD-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-4-methylphenyl)ethanol
CID 106859288
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 105121067
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
CID 104800715
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (CID 105103223) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is CCC(C)n1ccc(CC(O)c2cc(C)nnc2C)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The InChIKey is SKKFLNPJFUKNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-11(3)19-7-6-13(18-19)9-15(20)14-8-10(2)16-17-12(14)4/h6-8,11,15,20H,5,9H2,1-4H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol has a molecular weight of 274.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105103223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).