2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride

C21H29Cl2N7O — CID 120870624

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride (PubChem CID 120870624) has the molecular formula C21H29Cl2N7O and a molecular weight of 466.42 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride
• PubChem CID: 120870624
• Molecular Formula: C21H29Cl2N7O
• Molecular Weight: 466.42 g/mol
• Exact Mass: 465.18
• IUPAC Name: 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride
• SMILES: Cc1cccc(Cn2nccc2NC(=O)CN2CCNCC2c2nccn2C)c1.Cl.Cl
• InChI: InChI=1S/C21H27N7O.2ClH/c1-16-4-3-5-17(12-16)14-28-19(6-7-24-28)25-20(29)15-27-11-8-22-13-18(27)21-23-9-10-26(21)2;;/h3-7,9-10,12,18,22H,8,11,13-15H2,1-2H3,(H,25,29);2*1H
• InChIKey: JRNNZLVFHUVWLH-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 80.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.42
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride?

The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride (CID 120870624) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride.

What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride?

The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride is Cc1cccc(Cn2nccc2NC(=O)CN2CCNCC2c2nccn2C)c1.Cl.Cl.

What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride?

The InChIKey is JRNNZLVFHUVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O.2ClH/c1-16-4-3-5-17(12-16)14-28-19(6-7-24-28)25-20(29)15-27-11-8-22-13-18(27)21-23-9-10-26(21)2;;/h3-7,9-10,12,18,22H,8,11,13-15H2,1-2H3,(H,25,29);2*1H.

What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride?

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride has a molecular weight of 466.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120870624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).