N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide

C26H37N5O2 — CID 55739313

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide (PubChem CID 55739313) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
• PubChem CID: 55739313
• Molecular Formula: C26H37N5O2
• Molecular Weight: 451.62 g/mol
• Exact Mass: 451.29
• IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
• SMILES: Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC(CC(=O)N2CCCC2)CC1
• InChI: InChI=1S/C26H37N5O2/c1-20-24(21(2)31(28-20)18-23-8-4-3-5-9-23)17-27-25(32)19-29-14-10-22(11-15-29)16-26(33)30-12-6-7-13-30/h3-5,8-9,22H,6-7,10-19H2,1-2H3,(H,27,32)
• InChIKey: MUJQFPZSPGLFAC-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.62
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide?

The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide (CID 55739313) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide?

The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC(CC(=O)N2CCCC2)CC1.

What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide?

The InChIKey is MUJQFPZSPGLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-20-24(21(2)31(28-20)18-23-8-4-3-5-9-23)17-27-25(32)19-29-14-10-22(11-15-29)16-26(33)30-12-6-7-13-30/h3-5,8-9,22H,6-7,10-19H2,1-2H3,(H,27,32).

What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide?

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide has a molecular weight of 451.62 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 55739313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).