[5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C23H24F3N5O3 — CID 2944796

About [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2944796) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
• PubChem CID: 2944796
• Molecular Formula: C23H24F3N5O3
• Molecular Weight: 475.47 g/mol
• Exact Mass: 475.18
• IUPAC Name: [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
• SMILES: COc1ccc(N2CCN(C(=O)c3cc4n(n3)C(C(F)(F)F)CC(c3ccco3)N4)CC2)cc1
• InChI: InChI=1S/C23H24F3N5O3/c1-33-16-6-4-15(5-7-16)29-8-10-30(11-9-29)22(32)18-14-21-27-17(19-3-2-12-34-19)13-20(23(24,25)26)31(21)28-18/h2-7,12,14,17,20,27H,8-11,13H2,1H3
• InChIKey: HJJCLQKAODSADK-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 75.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.47
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

The IUPAC name of [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 2944796) is [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

What is the SMILES notation for [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

The canonical SMILES for [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3cc4n(n3)C(C(F)(F)F)CC(c3ccco3)N4)CC2)cc1.

What is the InChIKey of [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

The InChIKey is HJJCLQKAODSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-33-16-6-4-15(5-7-16)29-8-10-30(11-9-29)22(32)18-14-21-27-17(19-3-2-12-34-19)13-20(23(24,25)26)31(21)28-18/h2-7,12,14,17,20,27H,8-11,13H2,1H3.

What are the key properties of [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

[5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 475.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2944796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).