1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone

C25H33N3O — CID 159627661

About 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone

1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone (PubChem CID 159627661) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone.

Molecular Properties

• Compound Name: 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone
• PubChem CID: 159627661
• Molecular Formula: C25H33N3O
• Molecular Weight: 391.56 g/mol
• Exact Mass: 391.26
• IUPAC Name: 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone
• SMILES: CC1(C)CC(C2CCCCC2)Nc2c(C(=O)CC3Cc4ccccc4C3)cnn21
• InChI: InChI=1S/C25H33N3O/c1-25(2)15-22(18-8-4-3-5-9-18)27-24-21(16-26-28(24)25)23(29)14-17-12-19-10-6-7-11-20(19)13-17/h6-7,10-11,16-18,22,27H,3-5,8-9,12-15H2,1-2H3
• InChIKey: MOSBWONWSUCCGL-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone?

The IUPAC name of 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone (CID 159627661) is 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone.

What is the SMILES notation for 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone?

The canonical SMILES for 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone is CC1(C)CC(C2CCCCC2)Nc2c(C(=O)CC3Cc4ccccc4C3)cnn21.

What is the InChIKey of 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone?

The InChIKey is MOSBWONWSUCCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-25(2)15-22(18-8-4-3-5-9-18)27-24-21(16-26-28(24)25)23(29)14-17-12-19-10-6-7-11-20(19)13-17/h6-7,10-11,16-18,22,27H,3-5,8-9,12-15H2,1-2H3.

What are the key properties of 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone?

1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone has a molecular weight of 391.56 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyclohexyl-7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-2-(2,3-dihydro-1H-inden-2-yl)ethanone is sourced from PubChem (CID 159627661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).