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

C15H20N2O3 — CID 82001952

IUPAC(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
SMILESCCn1cc(COc2cc(OC)ccc2[C@H](C)O)cn1
InChIInChI=1S/C15H20N2O3/c1-4-17-9-12(8-16-17)10-20-15-7-13(19-3)5-6-14(15)11(2)18/h5-9,11,18H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyNGCOAUXOGSOYTP-NSHDSACASA-N
MW276.34 g/mol
LogP2.54
Rot. Bonds6

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

(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol (PubChem CID 82001952) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
PubChem CID82001952
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
SMILESCCn1cc(COc2cc(OC)ccc2[C@H](C)O)cn1
InChIInChI=1S/C15H20N2O3/c1-4-17-9-12(8-16-17)10-20-15-7-13(19-3)5-6-14(15)11(2)18/h5-9,11,18H,4,10H2,1-3H3/t11-/m0/s1
InChIKeyNGCOAUXOGSOYTP-NSHDSACASA-N
XLogP2.54
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 55246681
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001774
(1R)-1-[4-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanol
CID 82000952
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003422
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
(1R)-1-[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 82001197
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
1-[4-methoxy-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 82003529

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol (CID 82001952) is (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol is CCn1cc(COc2cc(OC)ccc2[C@H](C)O)cn1.
What is the InChIKey of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
The InChIKey is NGCOAUXOGSOYTP-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-17-9-12(8-16-17)10-20-15-7-13(19-3)5-6-14(15)11(2)18/h5-9,11,18H,4,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol?
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).