1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine

C23H22N4O — CID 2371856

About 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine

1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine (PubChem CID 2371856) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine.

Molecular Properties

• Compound Name: 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
• PubChem CID: 2371856
• Molecular Formula: C23H22N4O
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.18
• IUPAC Name: 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
• SMILES: C(=NN1CCCCC1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
• InChI: InChI=1S/C23H22N4O/c1-3-10-20(11-4-1)27-17-19(16-24-26-13-7-2-8-14-26)23(25-27)22-15-18-9-5-6-12-21(18)28-22/h1,3-6,9-12,15-17H,2,7-8,13-14H2
• InChIKey: OUCMPZLWCOOCTA-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 46.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?

The IUPAC name of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine (CID 2371856) is 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine.

What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?

The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine is C(=NN1CCCCC1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.

What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?

The InChIKey is OUCMPZLWCOOCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-10-20(11-4-1)27-17-19(16-24-26-13-7-2-8-14-26)23(25-27)22-15-18-9-5-6-12-21(18)28-22/h1,3-6,9-12,15-17H,2,7-8,13-14H2.

What are the key properties of 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?

1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine has a molecular weight of 370.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 2371856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).