[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone

C25H24Cl2N4O — CID 135547867

About [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone

[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 135547867) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone
• PubChem CID: 135547867
• Molecular Formula: C25H24Cl2N4O
• Molecular Weight: 467.40 g/mol
• Exact Mass: 466.13
• IUPAC Name: [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone
• SMILES: CC1=C(C(=O)N2CCC(c3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
• InChI: InChI=1S/C25H24Cl2N4O/c1-16-23(25(32)30-13-10-18(11-14-30)17-5-3-2-4-6-17)24(31-22(29-16)9-12-28-31)19-7-8-20(26)21(27)15-19/h2-9,12,15,18,24,29H,10-11,13-14H2,1H3
• InChIKey: VXJCSLJGHFPZQS-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.40
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone?

The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone (CID 135547867) is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone.

What is the SMILES notation for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone?

The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone is CC1=C(C(=O)N2CCC(c3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.

What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone?

The InChIKey is VXJCSLJGHFPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c1-16-23(25(32)30-13-10-18(11-14-30)17-5-3-2-4-6-17)24(31-22(29-16)9-12-28-31)19-7-8-20(26)21(27)15-19/h2-9,12,15,18,24,29H,10-11,13-14H2,1H3.

What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone?

[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 467.40 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 135547867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).