2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol

C16H22N2O2 — CID 115816490

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H22N2O2/c1-5-18-14(8-12(3)17-18)10-15(19)13-7-6-11(2)16(9-13)20-4/h6-9,15,19H,5,10H2,1-4H3
InChIKeyTWLJCLOTZKLAAA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol (PubChem CID 115816490) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
PubChem CID115816490
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H22N2O2/c1-5-18-14(8-12(3)17-18)10-15(19)13-7-6-11(2)16(9-13)20-4/h6-9,15,19H,5,10H2,1-4H3
InChIKeyTWLJCLOTZKLAAA-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002735
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105109618
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylfuran-3-yl)ethanol
CID 104789623
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554068
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
CID 79436904
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816374
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol
CID 45485612

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol (CID 115816490) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol is CCn1nc(C)cc1CC(O)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
The InChIKey is TWLJCLOTZKLAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-18-14(8-12(3)17-18)10-15(19)13-7-6-11(2)16(9-13)20-4/h6-9,15,19H,5,10H2,1-4H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 115816490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).