5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one

C16H14N2O2 — CID 10308159

IUPAC5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-14-9-7-12(8-10-14)15-11-16(19)18(17-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyJSJKAIQJGDEDOI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.84
Rot. Bonds3

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

5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one (PubChem CID 10308159) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one
PubChem CID10308159
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-14-9-7-12(8-10-14)15-11-16(19)18(17-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyJSJKAIQJGDEDOI-UHFFFAOYSA-N
XLogP2.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one (CID 10308159) is 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one is COc1ccc(C2=NN(c3ccccc3)C(=O)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one?
The InChIKey is JSJKAIQJGDEDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-14-9-7-12(8-10-14)15-11-16(19)18(17-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one?
5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one has a molecular weight of 266.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 10308159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).