N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide

C25H29N5O2 — CID 59564405

About N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide

N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide (PubChem CID 59564405) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide
• PubChem CID: 59564405
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cc1
• InChI: InChI=1S/C25H29N5O2/c1-18-16-19(2)30(27-18)17-25(32)29-14-12-28(13-15-29)24-7-5-4-6-23(24)21-8-10-22(11-9-21)26-20(3)31/h4-11,16H,12-15,17H2,1-3H3,(H,26,31)
• InChIKey: YSIIVNNQTWVOCT-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide?

The IUPAC name of N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide (CID 59564405) is N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide?

The canonical SMILES for N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccccc2N2CCN(C(=O)Cn3nc(C)cc3C)CC2)cc1.

What is the InChIKey of N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide?

The InChIKey is YSIIVNNQTWVOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-16-19(2)30(27-18)17-25(32)29-14-12-28(13-15-29)24-7-5-4-6-23(24)21-8-10-22(11-9-21)26-20(3)31/h4-11,16H,12-15,17H2,1-3H3,(H,26,31).

What are the key properties of N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide?

N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 59564405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).