1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

C26H27N5O2 — CID 50780675

About 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (PubChem CID 50780675) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
• PubChem CID: 50780675
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
• SMILES: Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C(C)C)cc1
• InChI: InChI=1S/C26H27N5O2/c1-16(2)18-7-11-21(12-8-18)27-25(32)23-15-31(29-17(23)3)22-13-9-19(10-14-22)24-28-26(33-30-24)20-5-4-6-20/h7-16,20H,4-6H2,1-3H3,(H,27,32)
• InChIKey: VKONXMWRUWQDFR-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?

The IUPAC name of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide (CID 50780675) is 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(C(C)C)cc1.

What is the InChIKey of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?

The InChIKey is VKONXMWRUWQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16(2)18-7-11-21(12-8-18)27-25(32)23-15-31(29-17(23)3)22-13-9-19(10-14-22)24-28-26(33-30-24)20-5-4-6-20/h7-16,20H,4-6H2,1-3H3,(H,27,32).

What are the key properties of 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide?

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 50780675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).