2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one

C11H12N4O2 — CID 136598000

IUPAC2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESCOn1[nH]c(C)c(/N=N/c2ccccc2)c1=O
InChIInChI=1S/C11H12N4O2/c1-8-10(11(16)15(14-8)17-2)13-12-9-6-4-3-5-7-9/h3-7,14H,1-2H3/b13-12+
InChIKeyHLOOOIAHZUQAIQ-OUKQBFOZSA-N
MW232.24 g/mol
LogP1.96
Rot. Bonds3

About 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one

2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one (PubChem CID 136598000) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
PubChem CID136598000
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESCOn1[nH]c(C)c(/N=N/c2ccccc2)c1=O
InChIInChI=1S/C11H12N4O2/c1-8-10(11(16)15(14-8)17-2)13-12-9-6-4-3-5-7-9/h3-7,14H,1-2H3/b13-12+
InChIKeyHLOOOIAHZUQAIQ-OUKQBFOZSA-N
XLogP1.96
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.96
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 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The IUPAC name of 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one (CID 136598000) is 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one is COn1[nH]c(C)c(/N=N/c2ccccc2)c1=O.
What is the InChIKey of 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The InChIKey is HLOOOIAHZUQAIQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-10(11(16)15(14-8)17-2)13-12-9-6-4-3-5-7-9/h3-7,14H,1-2H3/b13-12+.
What are the key properties of 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one?
2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one has a molecular weight of 232.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one is sourced from PubChem (CID 136598000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).