1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C16H22N2O2 — CID 105095807

IUPAC1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCCOc1ccccc1C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C16H22N2O2/c1-5-20-16-9-7-6-8-13(16)15(19)10-14-11(2)17-18(4)12(14)3/h6-9,15,19H,5,10H2,1-4H3
InChIKeyVCOSRFNVURCSMW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105095807) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105095807
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCCOc1ccccc1C(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C16H22N2O2/c1-5-20-16-9-7-6-8-13(16)15(19)10-14-11(2)17-18(4)12(14)3/h6-9,15,19H,5,10H2,1-4H3
InChIKeyVCOSRFNVURCSMW-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105095910
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114283574
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 107469558
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114213625
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105095860
1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817513

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105095807) is 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is CCOc1ccccc1C(O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is VCOSRFNVURCSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-20-16-9-7-6-8-13(16)15(19)10-14-11(2)17-18(4)12(14)3/h6-9,15,19H,5,10H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105095807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).