1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol

C14H18N2O2 — CID 116802017

IUPAC1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)16-9-12(8-15-16)18-14-7-5-4-6-13(14)11(3)17/h4-11,17H,1-3H3
InChIKeyAMKOVGBVDIICFI-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.31
Rot. Bonds4

About 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol

1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol (PubChem CID 116802017) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
PubChem CID116802017
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)16-9-12(8-15-16)18-14-7-5-4-6-13(14)11(3)17/h4-11,17H,1-3H3
InChIKeyAMKOVGBVDIICFI-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine
CID 117125191
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801803
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804277
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
1-[3-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 114079106

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol (CID 116802017) is 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol is CC(O)c1ccccc1Oc1cnn(C(C)C)c1.
What is the InChIKey of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
The InChIKey is AMKOVGBVDIICFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)16-9-12(8-15-16)18-14-7-5-4-6-13(14)11(3)17/h4-11,17H,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 116802017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).