2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol

C16H22N2O2 — CID 107713078

IUPAC2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1cc(COc2ccccc2CCO)n(CC)n1
InChIInChI=1S/C16H22N2O2/c1-3-14-11-15(18(4-2)17-14)12-20-16-8-6-5-7-13(16)9-10-19/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyWMVUUEAHIFDVHZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol

2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 107713078) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID107713078
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1cc(COc2ccccc2CCO)n(CC)n1
InChIInChI=1S/C16H22N2O2/c1-3-14-11-15(18(4-2)17-14)12-20-16-8-6-5-7-13(16)9-10-19/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyWMVUUEAHIFDVHZ-UHFFFAOYSA-N
XLogP2.58
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709539
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700343
2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 107713285
2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid
CID 107341422
(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
CID 79025599
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107713246
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
3-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenol
CID 107679807
[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
CID 115962171
[2-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 82696077
2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 107713078) is 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol is CCc1cc(COc2ccccc2CCO)n(CC)n1.
What is the InChIKey of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is WMVUUEAHIFDVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-14-11-15(18(4-2)17-14)12-20-16-8-6-5-7-13(16)9-10-19/h5-8,11,19H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107713078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).