1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol

C15H20N2O3 — CID 81137734

IUPAC1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol
SMILESCOc1cccc(C(O)COc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20N2O3/c1-10-15(11(2)17(3)16-10)20-9-14(18)12-6-5-7-13(8-12)19-4/h5-8,14,18H,9H2,1-4H3
InChIKeyNCJZXHSXQVYLTD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.16
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol

1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol (PubChem CID 81137734) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol
PubChem CID81137734
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol
SMILESCOc1cccc(C(O)COc2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H20N2O3/c1-10-15(11(2)17(3)16-10)20-9-14(18)12-6-5-7-13(8-12)19-4/h5-8,14,18H,9H2,1-4H3
InChIKeyNCJZXHSXQVYLTD-UHFFFAOYSA-N
XLogP2.16
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474
[1-(3-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105283653
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339
1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
CID 79167110
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
CID 81134459
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol (CID 81137734) is 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol is COc1cccc(C(O)COc2c(C)nn(C)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol?
The InChIKey is NCJZXHSXQVYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-15(11(2)17(3)16-10)20-9-14(18)12-6-5-7-13(8-12)19-4/h5-8,14,18H,9H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol?
1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol has a molecular weight of 276.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanol is sourced from PubChem (CID 81137734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).