4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide

C24H24N4O4 — CID 154836602

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 154836602) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
• PubChem CID: 154836602
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
• SMILES: CC1=NN(c2ccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)cc2)CC1
• InChI: InChI=1S/C24H24N4O4/c1-16-10-11-28(26-16)18-8-6-17(7-9-18)23(29)25-21-19-4-2-3-5-20(19)32-22(21)24(30)27-12-14-31-15-13-27/h2-9H,10-15H2,1H3,(H,25,29)
• InChIKey: GRHKJXBJJTUSLN-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?

The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide (CID 154836602) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide.

What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?

The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide is CC1=NN(c2ccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)cc2)CC1.

What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?

The InChIKey is GRHKJXBJJTUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-10-11-28(26-16)18-8-6-17(7-9-18)23(29)25-21-19-4-2-3-5-20(19)32-22(21)24(30)27-12-14-31-15-13-27/h2-9H,10-15H2,1H3,(H,25,29).

What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide?

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 154836602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).