2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol

C13H16N2O2 — CID 651391

IUPAC2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol
SMILESCCn1nc(C)c(Oc2ccccc2O)c1C
InChIInChI=1S/C13H16N2O2/c1-4-15-10(3)13(9(2)14-15)17-12-8-6-5-7-11(12)16/h5-8,16H,4H2,1-3H3
InChIKeyJNOXWZLWRZNRTJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.02
Rot. Bonds3

About 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol (PubChem CID 651391) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol.

Molecular Properties

Compound Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol
PubChem CID651391
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol
SMILESCCn1nc(C)c(Oc2ccccc2O)c1C
InChIInChI=1S/C13H16N2O2/c1-4-15-10(3)13(9(2)14-15)17-12-8-6-5-7-11(12)16/h5-8,16H,4H2,1-3H3
InChIKeyJNOXWZLWRZNRTJ-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol?
The IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol (CID 651391) is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol.
What is the SMILES notation for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol?
The canonical SMILES for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol is CCn1nc(C)c(Oc2ccccc2O)c1C.
What is the InChIKey of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol?
The InChIKey is JNOXWZLWRZNRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-15-10(3)13(9(2)14-15)17-12-8-6-5-7-11(12)16/h5-8,16H,4H2,1-3H3.
What are the key properties of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol?
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol has a molecular weight of 232.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxyphenol is sourced from PubChem (CID 651391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).