1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol

C16H22N2O2 — CID 64783982

IUPAC1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCC(C)n1ccc(COc2ccc(C(C)O)cc2)n1
InChIInChI=1S/C16H22N2O2/c1-4-12(2)18-10-9-15(17-18)11-20-16-7-5-14(6-8-16)13(3)19/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyGQTBNNOCZQFGJU-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.49
Rot. Bonds6

About 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol

1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 64783982) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID64783982
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCC(C)n1ccc(COc2ccc(C(C)O)cc2)n1
InChIInChI=1S/C16H22N2O2/c1-4-12(2)18-10-9-15(17-18)11-20-16-7-5-14(6-8-16)13(3)19/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyGQTBNNOCZQFGJU-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 64773103
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]-trifluoroboranuide
CID 113240237
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
CID 83136882
1-butan-2-yl-3-[(3-fluoro-4-methylphenoxy)methyl]pyrazole
CID 107171387
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-5-fluorophenyl]boronic acid
CID 81313801
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 64783982) is 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol is CCC(C)n1ccc(COc2ccc(C(C)O)cc2)n1.
What is the InChIKey of 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is GQTBNNOCZQFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12(2)18-10-9-15(17-18)11-20-16-7-5-14(6-8-16)13(3)19/h5-10,12-13,19H,4,11H2,1-3H3.
What are the key properties of 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 274.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 64783982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).