(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol

C15H20N2O2 — CID 63366486

IUPAC(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
SMILESCCn1cc(COc2ccc(C)cc2[C@H](C)O)cn1
InChIInChI=1S/C15H20N2O2/c1-4-17-9-13(8-16-17)10-19-15-6-5-11(2)7-14(15)12(3)18/h5-9,12,18H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyZOBSNQMHNQXTGB-LBPRGKRZSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds5

About (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol

(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol (PubChem CID 63366486) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
PubChem CID63366486
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
SMILESCCn1cc(COc2ccc(C)cc2[C@H](C)O)cn1
InChIInChI=1S/C15H20N2O2/c1-4-17-9-13(8-16-17)10-19-15-6-5-11(2)7-14(15)12(3)18/h5-9,12,18H,4,10H2,1-3H3/t12-/m0/s1
InChIKeyZOBSNQMHNQXTGB-LBPRGKRZSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 55246681
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 60890187
(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125623
3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile
CID 62127952

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol (CID 63366486) is (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol is CCn1cc(COc2ccc(C)cc2[C@H](C)O)cn1.
What is the InChIKey of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol?
The InChIKey is ZOBSNQMHNQXTGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17-9-13(8-16-17)10-19-15-6-5-11(2)7-14(15)12(3)18/h5-9,12,18H,4,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol?
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol has a molecular weight of 260.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol is sourced from PubChem (CID 63366486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).