4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol

C23H37N3O2 — CID 142613045

About 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol

4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol (PubChem CID 142613045) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol.

Molecular Properties

• Compound Name: 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
• PubChem CID: 142613045
• Molecular Formula: C23H37N3O2
• Molecular Weight: 387.57 g/mol
• Exact Mass: 387.29
• IUPAC Name: 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
• SMILES: CCCCCO.Cc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1
• InChI: InChI=1S/C18H25N3O.C5H12O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15;1-2-3-4-5-6/h11-12,15H,3-10H2,1-2H3;6H,2-5H2,1H3
• InChIKey: PLNUNQZXLADMTJ-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 67.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.57
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?

The IUPAC name of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol (CID 142613045) is 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol.

What is the SMILES notation for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?

The canonical SMILES for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol is CCCCCO.Cc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1.

What is the InChIKey of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?

The InChIKey is PLNUNQZXLADMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C5H12O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15;1-2-3-4-5-6/h11-12,15H,3-10H2,1-2H3;6H,2-5H2,1H3.

What are the key properties of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol?

4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol has a molecular weight of 387.57 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol is sourced from PubChem (CID 142613045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).