5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one

C24H20N6OS2 — CID 142488254

About 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one

5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one (PubChem CID 142488254) has the molecular formula C24H20N6OS2 and a molecular weight of 472.60 g/mol. Its IUPAC name is 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one
• PubChem CID: 142488254
• Molecular Formula: C24H20N6OS2
• Molecular Weight: 472.60 g/mol
• Exact Mass: 472.11
• IUPAC Name: 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one
• SMILES: CC(C)c1csc(/N=N/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)n1
• InChI: InChI=1S/C24H20N6OS2/c1-15(2)18-13-32-23(25-18)28-27-21-20(17-11-7-4-8-12-17)29-30(22(21)31)24-26-19(14-33-24)16-9-5-3-6-10-16/h3-15,29H,1-2H3/b28-27+
• InChIKey: MCRDQKQGHBYMMN-BYYHNAKLSA-N
• XLogP: 6.95
• TPSA: 88.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.60
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one?

The IUPAC name of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one (CID 142488254) is 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one.

What is the SMILES notation for 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one?

The canonical SMILES for 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one is CC(C)c1csc(/N=N/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)n1.

What is the InChIKey of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one?

The InChIKey is MCRDQKQGHBYMMN-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H20N6OS2/c1-15(2)18-13-32-23(25-18)28-27-21-20(17-11-7-4-8-12-17)29-30(22(21)31)24-26-19(14-33-24)16-9-5-3-6-10-16/h3-15,29H,1-2H3/b28-27+.

What are the key properties of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one?

5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one has a molecular weight of 472.60 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)diazenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 142488254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).