2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol

C16H22N2O2 — CID 107709539

IUPAC2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1cc(COc2ccc(CCO)cc2)n(CC)n1
InChIInChI=1S/C16H22N2O2/c1-3-14-11-15(18(4-2)17-14)12-20-16-7-5-13(6-8-16)9-10-19/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyBRERUASYPGFAIR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.58
Rot. Bonds7

About 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol

2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 107709539) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID107709539
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCCc1cc(COc2ccc(CCO)cc2)n(CC)n1
InChIInChI=1S/C16H22N2O2/c1-3-14-11-15(18(4-2)17-14)12-20-16-7-5-13(6-8-16)9-10-19/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyBRERUASYPGFAIR-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-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine
CID 79800563
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
2-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 107709544
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
CID 79025599
[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
CID 115962171
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700343
1-ethyl-5-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 117217340
2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 114323567

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 107709539) is 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol is CCc1cc(COc2ccc(CCO)cc2)n(CC)n1.
What is the InChIKey of 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is BRERUASYPGFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-14-11-15(18(4-2)17-14)12-20-16-7-5-13(6-8-16)9-10-19/h5-8,11,19H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol?
2-[4-[(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-[4-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107709539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).