4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol

C16H18N2O2 — CID 103012792

IUPAC4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
SMILESCn1nccc1CCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C16H18N2O2/c1-18-15(9-11-17-18)10-13-20-16-7-5-14(6-8-16)4-2-3-12-19/h5-9,11,19H,3,10,12-13H2,1H3
InChIKeyAUCUWWUCJGBQDM-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.78
Rot. Bonds5

About 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol

4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol (PubChem CID 103012792) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
PubChem CID103012792
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
SMILESCn1nccc1CCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C16H18N2O2/c1-18-15(9-11-17-18)10-13-20-16-7-5-14(6-8-16)4-2-3-12-19/h5-9,11,19H,3,10,12-13H2,1H3
InChIKeyAUCUWWUCJGBQDM-UHFFFAOYSA-N
XLogP1.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 61494796
4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
5-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]-1-methylpyrazole
CID 103012928
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
CID 103003007
4-[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 62351286
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 107663250
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
[2-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003921
4-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 66224702

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol (CID 103012792) is 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol is Cn1nccc1CCOc1ccc(C#CCCO)cc1.
What is the InChIKey of 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol?
The InChIKey is AUCUWWUCJGBQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-15(9-11-17-18)10-13-20-16-7-5-14(6-8-16)4-2-3-12-19/h5-9,11,19H,3,10,12-13H2,1H3.
What are the key properties of 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol?
4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol has a molecular weight of 270.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 103012792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).