1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

C26H23N7O2 — CID 10027488

About 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 10027488) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
• PubChem CID: 10027488
• Molecular Formula: C26H23N7O2
• Molecular Weight: 465.52 g/mol
• Exact Mass: 465.19
• IUPAC Name: 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
• SMILES: CC(=O)N1N=C(c2ccc(/N=N/c3c(C)nn(-c4ccccc4)c3C)cc2)OC1c1ccncc1
• InChI: InChI=1S/C26H23N7O2/c1-17-24(18(2)32(30-17)23-7-5-4-6-8-23)29-28-22-11-9-20(10-12-22)25-31-33(19(3)34)26(35-25)21-13-15-27-16-14-21/h4-16,26H,1-3H3/b29-28+
• InChIKey: GQMMFWTZVULGRP-ZQHSETAFSA-N
• XLogP: 5.54
• TPSA: 97.33 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.52
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
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 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?

The IUPAC name of 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 10027488) is 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone.

What is the SMILES notation for 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?

The canonical SMILES for 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(/N=N/c3c(C)nn(-c4ccccc4)c3C)cc2)OC1c1ccncc1.

What is the InChIKey of 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?

The InChIKey is GQMMFWTZVULGRP-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-17-24(18(2)32(30-17)23-7-5-4-6-8-23)29-28-22-11-9-20(10-12-22)25-31-33(19(3)34)26(35-25)21-13-15-27-16-14-21/h4-16,26H,1-3H3/b29-28+.

What are the key properties of 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone?

1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 465.52 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)diazenyl]phenyl]-2-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 10027488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).