1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide

C24H29ClN4O2 — CID 3514821

About 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide

1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide (PubChem CID 3514821) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
• PubChem CID: 3514821
• Molecular Formula: C24H29ClN4O2
• Molecular Weight: 440.98 g/mol
• Exact Mass: 440.20
• IUPAC Name: 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3cccc(Cl)c3)n2)o1
• InChI: InChI=1S/C24H29ClN4O2/c1-17-7-3-4-13-28(17)14-6-12-26-24(30)22-16-21(23-11-10-18(2)31-23)27-29(22)20-9-5-8-19(25)15-20/h5,8-11,15-17H,3-4,6-7,12-14H2,1-2H3,(H,26,30)
• InChIKey: HKLRPXXCCVAUCH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.98
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
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 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?

The IUPAC name of 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide (CID 3514821) is 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?

The canonical SMILES for 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCN3CCCCC3C)n(-c3cccc(Cl)c3)n2)o1.

What is the InChIKey of 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?

The InChIKey is HKLRPXXCCVAUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-17-7-3-4-13-28(17)14-6-12-26-24(30)22-16-21(23-11-10-18(2)31-23)27-29(22)20-9-5-8-19(25)15-20/h5,8-11,15-17H,3-4,6-7,12-14H2,1-2H3,(H,26,30).

What are the key properties of 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide?

1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide is sourced from PubChem (CID 3514821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).