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

C16H14N4O2 — CID 867187

IUPAC4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc(O)c1
InChIInChI=1S/C16H14N4O2/c1-11-15(18-17-12-6-5-9-14(21)10-12)16(22)20(19-11)13-7-3-2-4-8-13/h2-10,19,21H,1H3/b18-17+
InChIKeyLCDFMQPAYNCDHS-ISLYRVAYSA-N
MW294.31 g/mol
LogP3.60
Rot. Bonds3

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

4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 867187) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID867187
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc(O)c1
InChIInChI=1S/C16H14N4O2/c1-11-15(18-17-12-6-5-9-14(21)10-12)16(22)20(19-11)13-7-3-2-4-8-13/h2-10,19,21H,1H3/b18-17+
InChIKeyLCDFMQPAYNCDHS-ISLYRVAYSA-N
XLogP3.60
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
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-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 867187) is 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc(O)c1.
What is the InChIKey of 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is LCDFMQPAYNCDHS-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-15(18-17-12-6-5-9-14(21)10-12)16(22)20(19-11)13-7-3-2-4-8-13/h2-10,19,21H,1H3/b18-17+.
What are the key properties of 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 294.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 867187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).