4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

C18H18N4O2 — CID 748795

IUPAC4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCCOc1ccccc1/N=N/c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C18H18N4O2/c1-3-24-16-12-8-7-11-15(16)19-20-17-13(2)21-22(18(17)23)14-9-5-4-6-10-14/h4-12,21H,3H2,1-2H3/b20-19+
InChIKeyDQGDOVYHMJPBKW-FMQUCBEESA-N
MW322.37 g/mol
LogP4.29
Rot. Bonds5

About 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 748795) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID748795
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCCOc1ccccc1/N=N/c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C18H18N4O2/c1-3-24-16-12-8-7-11-15(16)19-20-17-13(2)21-22(18(17)23)14-9-5-4-6-10-14/h4-12,21H,3H2,1-2H3/b20-19+
InChIKeyDQGDOVYHMJPBKW-FMQUCBEESA-N
XLogP4.29
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 748795) is 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is CCOc1ccccc1/N=N/c1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is DQGDOVYHMJPBKW-FMQUCBEESA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-24-16-12-8-7-11-15(16)19-20-17-13(2)21-22(18(17)23)14-9-5-4-6-10-14/h4-12,21H,3H2,1-2H3/b20-19+.
What are the key properties of 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 322.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 748795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).