2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole

C23H21Cl3N4O — CID 24954694

About 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole (PubChem CID 24954694) has the molecular formula C23H21Cl3N4O and a molecular weight of 475.81 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole
• PubChem CID: 24954694
• Molecular Formula: C23H21Cl3N4O
• Molecular Weight: 475.81 g/mol
• Exact Mass: 474.08
• IUPAC Name: 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole
• SMILES: CCCCCc1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1
• InChI: InChI=1S/C23H21Cl3N4O/c1-3-4-5-6-20-27-28-23(31-20)21-14(2)22(15-7-9-16(24)10-8-15)30(29-21)19-12-11-17(25)13-18(19)26/h7-13H,3-6H2,1-2H3
• InChIKey: QCKWSXWWEAZDDQ-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.81
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole?

The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole (CID 24954694) is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole?

The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole is CCCCCc1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1.

What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole?

The InChIKey is QCKWSXWWEAZDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O/c1-3-4-5-6-20-27-28-23(31-20)21-14(2)22(15-7-9-16(24)10-8-15)30(29-21)19-12-11-17(25)13-18(19)26/h7-13H,3-6H2,1-2H3.

What are the key properties of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole?

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole has a molecular weight of 475.81 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-pentyl-1,3,4-oxadiazole is sourced from PubChem (CID 24954694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).