4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one

C₁₅H₁₃N₅O₂ — CID 135976626

About 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one

4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one (PubChem CID 135976626) has the molecular formula C₁₅H₁₃N₅O₂ and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

• Compound Name: 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
• PubChem CID: 135976626
• Molecular Formula: C₁₅H₁₃N₅O₂
• Molecular Weight: 295.30 g/mol
• Exact Mass: 295.11
• IUPAC Name: 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
• SMILES: COc1ccc(/N=N/c2c(-c3ccncc3)[nH][nH]c2=O)cc1
• InChI: InChI=1S/C15H13N5O2/c1-22-12-4-2-11(3-5-12)17-19-14-13(18-20-15(14)21)10-6-8-16-9-7-10/h2-9H,1H3,(H2,18,20,21)/b19-17+
• InChIKey: CMJRGKYDMVQFTL-HTXNQAPBSA-N
• XLogP: 3.19
• TPSA: 95.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.30
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?

The IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one (CID 135976626) is 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one.

What is the SMILES notation for 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?

The canonical SMILES for 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one is COc1ccc(/N=N/c2c(-c3ccncc3)[nH][nH]c2=O)cc1.

What is the InChIKey of 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?

The InChIKey is CMJRGKYDMVQFTL-HTXNQAPBSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-12-4-2-11(3-5-12)17-19-14-13(18-20-15(14)21)10-6-8-16-9-7-10/h2-9H,1H3,(H2,18,20,21)/b19-17+.

What are the key properties of 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one?

4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one has a molecular weight of 295.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-methoxyphenyl)diazenyl]-5-pyridin-4-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135976626 — identifiers, structure, computed properties (public domain)

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