2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one

C12H14N2O2 — CID 70628168

IUPAC2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCc2ccccc2O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-9-8-12(16)14(13-9)7-6-10-4-2-3-5-11(10)15/h2-5,8,13,15H,6-7H2,1H3
InChIKeyFKXFUXZYLAMMKV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.43
Rot. Bonds3

About 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one

2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 70628168) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one
PubChem CID70628168
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(CCc2ccccc2O)[nH]1
InChIInChI=1S/C12H14N2O2/c1-9-8-12(16)14(13-9)7-6-10-4-2-3-5-11(10)15/h2-5,8,13,15H,6-7H2,1H3
InChIKeyFKXFUXZYLAMMKV-UHFFFAOYSA-N
XLogP1.43
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one (CID 70628168) is 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(CCc2ccccc2O)[nH]1.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is FKXFUXZYLAMMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-8-12(16)14(13-9)7-6-10-4-2-3-5-11(10)15/h2-5,8,13,15H,6-7H2,1H3.
What are the key properties of 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one?
2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)ethyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 70628168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).