1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one

C18H18N2O — CID 22767970

IUPAC1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one
SMILESCCn1cc(-c2cccc(C)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H18N2O/c1-3-19-13-17(15-9-7-8-14(2)12-15)18(21)20(19)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3
InChIKeyDIYDSENGHGGDSE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.63
Rot. Bonds3

About 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one

1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one (PubChem CID 22767970) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one
PubChem CID22767970
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one
SMILESCCn1cc(-c2cccc(C)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C18H18N2O/c1-3-19-13-17(15-9-7-8-14(2)12-15)18(21)20(19)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3
InChIKeyDIYDSENGHGGDSE-UHFFFAOYSA-N
XLogP3.63
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one?
The IUPAC name of 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one (CID 22767970) is 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one.
What is the SMILES notation for 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one?
The canonical SMILES for 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one is CCn1cc(-c2cccc(C)c2)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one?
The InChIKey is DIYDSENGHGGDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-19-13-17(15-9-7-8-14(2)12-15)18(21)20(19)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one?
1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one has a molecular weight of 278.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylphenyl)-2-phenylpyrazol-3-one is sourced from PubChem (CID 22767970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).