2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C₂₃H₁₇N₅O₂ — CID 90643443

About 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 90643443) has the molecular formula C₂₃H₁₇N₅O₂ and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
• PubChem CID: 90643443
• Molecular Formula: C₂₃H₁₇N₅O₂
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.14
• IUPAC Name: 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
• SMILES: COc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1
• InChI: InChI=1S/C23H17N5O2/c1-29-19-9-7-16(8-10-19)21-20(15-28(27-21)18-5-3-2-4-6-18)23-26-25-22(30-23)17-11-13-24-14-12-17/h2-15H,1H3
• InChIKey: CVOMEMREDHPJGV-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 78.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?

The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 90643443) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

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

The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccncc3)o2)cc1.

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

The InChIKey is CVOMEMREDHPJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-29-19-9-7-16(8-10-19)21-20(15-28(27-21)18-5-3-2-4-6-18)23-26-25-22(30-23)17-11-13-24-14-12-17/h2-15H,1H3.

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

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 395.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 90643443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90643443 — identifiers, structure, computed properties (public domain)

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