2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one

C17H16N2O2 — CID 107958349

IUPAC2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one
SMILESCCOc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-2-21-15-10-8-14(9-11-15)19-17(20)12-16(18-19)13-6-4-3-5-7-13/h3-12,18H,2H2,1H3
InChIKeyIGUOEOUMJQMKNE-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one

2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 107958349) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one
PubChem CID107958349
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one
SMILESCCOc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-2-21-15-10-8-14(9-11-15)19-17(20)12-16(18-19)13-6-4-3-5-7-13/h3-12,18H,2H2,1H3
InChIKeyIGUOEOUMJQMKNE-UHFFFAOYSA-N
XLogP3.23
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one (CID 107958349) is 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one is CCOc1ccc(-n2[nH]c(-c3ccccc3)cc2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is IGUOEOUMJQMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-15-10-8-14(9-11-15)19-17(20)12-16(18-19)13-6-4-3-5-7-13/h3-12,18H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one?
2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 280.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 107958349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).