[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C25H26F3N5O — CID 2884040

About [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2884040) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone
• PubChem CID: 2884040
• Molecular Formula: C25H26F3N5O
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.21
• IUPAC Name: [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone
• SMILES: Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N4CCN(c5ccccc5)CC4)cc3N2)cc1
• InChI: InChI=1S/C25H26F3N5O/c1-17-7-9-18(10-8-17)20-15-22(25(26,27)28)33-23(29-20)16-21(30-33)24(34)32-13-11-31(12-14-32)19-5-3-2-4-6-19/h2-10,16,20,22,29H,11-15H2,1H3
• InChIKey: RYSLMKPAZFKHMZ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 2884040) is [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

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

The canonical SMILES for [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N4CCN(c5ccccc5)CC4)cc3N2)cc1.

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

The InChIKey is RYSLMKPAZFKHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-17-7-9-18(10-8-17)20-15-22(25(26,27)28)33-23(29-20)16-21(30-33)24(34)32-13-11-31(12-14-32)19-5-3-2-4-6-19/h2-10,16,20,22,29H,11-15H2,1H3.

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

[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 469.51 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2884040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).