1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one

C11H12N4O2 — CID 57000079

IUPAC1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one
SMILES[H]/N=N/Cn1c(C)c(O)c(=O)n1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-8-10(16)11(17)15(14(8)7-13-12)9-5-3-2-4-6-9/h2-6,12,16H,7H2,1H3/b13-12+
InChIKeyCLGQUKGIWLRLRH-OUKQBFOZSA-N
MW232.24 g/mol
LogP1.64
Rot. Bonds3

About 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one

1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one (PubChem CID 57000079) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one
PubChem CID57000079
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one
SMILES[H]/N=N/Cn1c(C)c(O)c(=O)n1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-8-10(16)11(17)15(14(8)7-13-12)9-5-3-2-4-6-9/h2-6,12,16H,7H2,1H3/b13-12+
InChIKeyCLGQUKGIWLRLRH-OUKQBFOZSA-N
XLogP1.64
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one (CID 57000079) is 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one is [H]/N=N/Cn1c(C)c(O)c(=O)n1-c1ccccc1.
What is the InChIKey of 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is CLGQUKGIWLRLRH-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8-10(16)11(17)15(14(8)7-13-12)9-5-3-2-4-6-9/h2-6,12,16H,7H2,1H3/b13-12+.
What are the key properties of 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one?
1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 232.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazenylmethyl)-4-hydroxy-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 57000079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).