1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C26H24ClN5O3 — CID 55815689

About 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55815689) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 55815689
• Molecular Formula: C26H24ClN5O3
• Molecular Weight: 489.96 g/mol
• Exact Mass: 489.16
• IUPAC Name: 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
• SMILES: Cc1ccnc(NC(=O)C2CCN(C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)CC2)c1
• InChI: InChI=1S/C26H24ClN5O3/c1-17-8-11-28-24(15-17)29-25(33)18-9-12-31(13-10-18)26(34)21-16-22(23-3-2-14-35-23)32(30-21)20-6-4-19(27)5-7-20/h2-8,11,14-16,18H,9-10,12-13H2,1H3,(H,28,29,33)
• InChIKey: YWDYOBZOJZLJGN-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.96
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

The IUPAC name of 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55815689) is 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)CC2)c1.

What is the InChIKey of 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

The InChIKey is YWDYOBZOJZLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c1-17-8-11-28-24(15-17)29-25(33)18-9-12-31(13-10-18)26(34)21-16-22(23-3-2-14-35-23)32(30-21)20-6-4-19(27)5-7-20/h2-8,11,14-16,18H,9-10,12-13H2,1H3,(H,28,29,33).

What are the key properties of 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?

1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55815689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).