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

C17H16N4O2 — CID 3614842

IUPAC4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCOc1ccc(/N=N/C2C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C17H16N4O2/c1-12-16(19-18-13-8-10-15(23-2)11-9-13)17(22)21(20-12)14-6-4-3-5-7-14/h3-11,16H,1-2H3/b19-18+
InChIKeyVMIFGCLMTUIMRX-VHEBQXMUSA-N
MW308.34 g/mol
LogP3.57
Rot. Bonds4

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

4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one (PubChem CID 3614842) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
PubChem CID3614842
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCOc1ccc(/N=N/C2C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C17H16N4O2/c1-12-16(19-18-13-8-10-15(23-2)11-9-13)17(22)21(20-12)14-6-4-3-5-7-14/h3-11,16H,1-2H3/b19-18+
InChIKeyVMIFGCLMTUIMRX-VHEBQXMUSA-N
XLogP3.57
TPSA66.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
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-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one (CID 3614842) is 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one is COc1ccc(/N=N/C2C(=O)N(c3ccccc3)N=C2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is VMIFGCLMTUIMRX-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-16(19-18-13-8-10-15(23-2)11-9-13)17(22)21(20-12)14-6-4-3-5-7-14/h3-11,16H,1-2H3/b19-18+.
What are the key properties of 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 308.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 3614842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).