1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide

C26H27N5O2 — CID 50780800

About 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide

1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 50780800) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
• PubChem CID: 50780800
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
• SMILES: Cc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCCC5)n4)cc3)nc2C)c1C
• InChI: InChI=1S/C26H27N5O2/c1-16-7-6-10-23(17(16)2)27-25(32)22-15-31(29-18(22)3)21-13-11-19(12-14-21)24-28-26(33-30-24)20-8-4-5-9-20/h6-7,10-15,20H,4-5,8-9H2,1-3H3,(H,27,32)
• InChIKey: WEMZFYQSXIZCKS-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide?

The IUPAC name of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide (CID 50780800) is 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide.

What is the SMILES notation for 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide?

The canonical SMILES for 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CCCC5)n4)cc3)nc2C)c1C.

What is the InChIKey of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide?

The InChIKey is WEMZFYQSXIZCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16-7-6-10-23(17(16)2)27-25(32)22-15-31(29-18(22)3)21-13-11-19(12-14-21)24-28-26(33-30-24)20-8-4-5-9-20/h6-7,10-15,20H,4-5,8-9H2,1-3H3,(H,27,32).

What are the key properties of 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide?

1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50780800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).