N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide

C22H32N6O2 — CID 78817652

About N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 78817652) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
• PubChem CID: 78817652
• Molecular Formula: C22H32N6O2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.26
• IUPAC Name: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
• SMILES: Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(CC(=O)NC(C)C)CC2)cc1
• InChI: InChI=1S/C22H32N6O2/c1-16(2)23-21(29)14-26-9-11-27(12-10-26)15-22(30)24-20-13-18(4)25-28(20)19-7-5-17(3)6-8-19/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,23,29)(H,24,30)
• InChIKey: ZCIZZGKRMFAGFF-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 82.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide (CID 78817652) is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCN(CC(=O)NC(C)C)CC2)cc1.

What is the InChIKey of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

The InChIKey is ZCIZZGKRMFAGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-16(2)23-21(29)14-26-9-11-27(12-10-26)15-22(30)24-20-13-18(4)25-28(20)19-7-5-17(3)6-8-19/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,23,29)(H,24,30).

What are the key properties of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide?

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78817652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).