1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide

C24H29ClN4O2 — CID 55330164

About 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 55330164) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
• PubChem CID: 55330164
• Molecular Formula: C24H29ClN4O2
• Molecular Weight: 440.98 g/mol
• Exact Mass: 440.20
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
• SMILES: Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC(c1ccco1)N1CCCCC1
• InChI: InChI=1S/C24H29ClN4O2/c1-17-23(18(2)29(27-17)16-19-9-4-5-10-20(19)25)24(30)26-15-21(22-11-8-14-31-22)28-12-6-3-7-13-28/h4-5,8-11,14,21H,3,6-7,12-13,15-16H2,1-2H3,(H,26,30)
• InChIKey: XWCNHWYMQIGACV-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.98
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide (CID 55330164) is 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCC(c1ccco1)N1CCCCC1.

What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

The InChIKey is XWCNHWYMQIGACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-17-23(18(2)29(27-17)16-19-9-4-5-10-20(19)25)24(30)26-15-21(22-11-8-14-31-22)28-12-6-3-7-13-28/h4-5,8-11,14,21H,3,6-7,12-13,15-16H2,1-2H3,(H,26,30).

What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?

1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55330164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).