4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one

C22H18N4O — CID 3109308

IUPAC4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESCc1ccc(/N=N/c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H18N4O/c1-16-12-14-18(15-13-16)23-24-21-20(17-8-4-2-5-9-17)25-26(22(21)27)19-10-6-3-7-11-19/h2-15,25H,1H3/b24-23+
InChIKeySMSBYCMVWQOLIG-WCWDXBQESA-N
MW354.41 g/mol
LogP5.56
Rot. Bonds4

About 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one

4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 3109308) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID3109308
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
SMILESCc1ccc(/N=N/c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H18N4O/c1-16-12-14-18(15-13-16)23-24-21-20(17-8-4-2-5-9-17)25-26(22(21)27)19-10-6-3-7-11-19/h2-15,25H,1H3/b24-23+
InChIKeySMSBYCMVWQOLIG-WCWDXBQESA-N
XLogP5.56
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one (CID 3109308) is 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one is Cc1ccc(/N=N/c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is SMSBYCMVWQOLIG-WCWDXBQESA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-12-14-18(15-13-16)23-24-21-20(17-8-4-2-5-9-17)25-26(22(21)27)19-10-6-3-7-11-19/h2-15,25H,1H3/b24-23+.
What are the key properties of 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one?
4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 354.41 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 3109308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).