2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol

C14H18N2O3 — CID 116802474

IUPAC2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
SMILESCCn1cc(OCC(O)c2cccc(OC)c2)cn1
InChIInChI=1S/C14H18N2O3/c1-3-16-9-13(8-15-16)19-10-14(17)11-5-4-6-12(7-11)18-2/h4-9,14,17H,3,10H2,1-2H3
InChIKeyRDIDTLIEHXPTGT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.02
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol

2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol (PubChem CID 116802474) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
PubChem CID116802474
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
SMILESCCn1cc(OCC(O)c2cccc(OC)c2)cn1
InChIInChI=1S/C14H18N2O3/c1-3-16-9-13(8-15-16)19-10-14(17)11-5-4-6-12(7-11)18-2/h4-9,14,17H,3,10H2,1-2H3
InChIKeyRDIDTLIEHXPTGT-UHFFFAOYSA-N
XLogP2.02
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
CID 81134459
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate
CID 97060219
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
1-(3-methoxyphenyl)-2-(2-propoxyphenoxy)ethanol
CID 110907759
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(3-methoxyphenyl)ethanol
CID 103175339

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol (CID 116802474) is 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol is CCn1cc(OCC(O)c2cccc(OC)c2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol?
The InChIKey is RDIDTLIEHXPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-16-9-13(8-15-16)19-10-14(17)11-5-4-6-12(7-11)18-2/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol?
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol has a molecular weight of 262.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 116802474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).