N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C23H28N6O — CID 25378951

About N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 25378951) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
• PubChem CID: 25378951
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
• SMILES: Cc1ccc(-n2cc(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)cn2)cc1
• InChI: InChI=1S/C23H28N6O/c1-17-2-6-20(7-3-17)28-16-18(14-25-28)15-27-12-9-21(10-13-27)29-22(8-11-24-29)26-23(30)19-4-5-19/h2-3,6-8,11,14,16,19,21H,4-5,9-10,12-13,15H2,1H3,(H,26,30)
• InChIKey: RONWQJSGASFTHE-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 25378951) is N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is Cc1ccc(-n2cc(CN3CCC(n4nccc4NC(=O)C4CC4)CC3)cn2)cc1.

What is the InChIKey of N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?

The InChIKey is RONWQJSGASFTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-2-6-20(7-3-17)28-16-18(14-25-28)15-27-12-9-21(10-13-27)29-22(8-11-24-29)26-23(30)19-4-5-19/h2-3,6-8,11,14,16,19,21H,4-5,9-10,12-13,15H2,1H3,(H,26,30).

What are the key properties of N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?

N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 25378951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).