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

C15H20N2O2 — CID 105095910

IUPAC(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCCOc1ccccc1C(O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H20N2O2/c1-5-19-13-9-7-6-8-12(13)15(18)14-10(2)16-17(4)11(14)3/h6-9,15,18H,5H2,1-4H3
InChIKeyXDBDILLUKCHYEB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.52
Rot. Bonds4

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

(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 105095910) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID105095910
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCCOc1ccccc1C(O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H20N2O2/c1-5-19-13-9-7-6-8-12(13)15(18)14-10(2)16-17(4)11(14)3/h6-9,15,18H,5H2,1-4H3
InChIKeyXDBDILLUKCHYEB-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105095860
N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180782
[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180506
(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 106648347
2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]propan-1-amine
CID 112678493
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
(2-ethoxyphenyl)-(2-ethylphenyl)methanol
CID 63900742
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 105095910) is (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol is CCOc1ccccc1C(O)c1c(C)nn(C)c1C.
What is the InChIKey of (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is XDBDILLUKCHYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-19-13-9-7-6-8-12(13)15(18)14-10(2)16-17(4)11(14)3/h6-9,15,18H,5H2,1-4H3.
What are the key properties of (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 260.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 105095910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).