lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane

C73H86AlLiN12O9 — CID 158279696

About lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane

lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane (PubChem CID 158279696) has the molecular formula C73H86AlLiN12O9 and a molecular weight of 1309.49 g/mol. Its IUPAC name is lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane.

Molecular Properties

• Compound Name: lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane
• PubChem CID: 158279696
• Molecular Formula: C73H86AlLiN12O9
• Molecular Weight: 1309.49 g/mol
• Exact Mass: 1308.66
• IUPAC Name: lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane
• SMILES: C1CCOC1.CC(C)(C)c1ccc(-c2cn3nc(C=O)cc3c(=O)[nH]2)cc1.CC(C)(C)c1ccc(-c2cn3nc(CO)cc3c(=O)[nH]2)cc1.CC(C)(C)c1ccc(-c2cn3nccc3c(=O)[nH]2)cc1.CCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(C(C)(C)C)cc3)cn2n1.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C19H21N3O3.C17H19N3O2.C17H17N3O2.C16H17N3O.C4H8O.Al.Li.4H/c1-5-25-18(24)14-10-16-17(23)20-15(11-22(16)21-14)12-6-8-13(9-7-12)19(2,3)4;2*1-17(2,3)12-6-4-11(5-7-12)14-9-20-15(16(22)18-14)8-13(10-21)19-20;1-16(2,3)12-6-4-11(5-7-12)13-10-19-14(8-9-17-19)15(20)18-13;1-2-4-5-3-1;;;;;;/h6-11H,5H2,1-4H3,(H,20,23);4-9,21H,10H2,1-3H3,(H,18,22);4-10H,1-3H3,(H,18,22);4-10H,1-3H3,(H,18,20);1-4H2;;;;;;/q;;;;;;+1;;;;-1
• InChIKey: FOVVLMJWQYSDHU-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 273.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1309.49
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane?

The IUPAC name of lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane (CID 158279696) is lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane.

What is the SMILES notation for lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane?

The canonical SMILES for lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane is C1CCOC1.CC(C)(C)c1ccc(-c2cn3nc(C=O)cc3c(=O)[nH]2)cc1.CC(C)(C)c1ccc(-c2cn3nc(CO)cc3c(=O)[nH]2)cc1.CC(C)(C)c1ccc(-c2cn3nccc3c(=O)[nH]2)cc1.CCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(C(C)(C)C)cc3)cn2n1.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane?

The InChIKey is FOVVLMJWQYSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.C17H19N3O2.C17H17N3O2.C16H17N3O.C4H8O.Al.Li.4H/c1-5-25-18(24)14-10-16-17(23)20-15(11-22(16)21-14)12-6-8-13(9-7-12)19(2,3)4;2*1-17(2,3)12-6-4-11(5-7-12)14-9-20-15(16(22)18-14)8-13(10-21)19-20;1-16(2,3)12-6-4-11(5-7-12)13-10-19-14(8-9-17-19)15(20)18-13;1-2-4-5-3-1;;;;;;/h6-11H,5H2,1-4H3,(H,20,23);4-9,21H,10H2,1-3H3,(H,18,22);4-10H,1-3H3,(H,18,22);4-10H,1-3H3,(H,18,20);1-4H2;;;;;;/q;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane?

lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane has a molecular weight of 1309.49 g/mol, XLogP of 8.16, 8 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;6-(4-tert-butylphenyl)-2-(hydroxymethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde;6-(4-tert-butylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one;ethyl 6-(4-tert-butylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydride;oxolane is sourced from PubChem (CID 158279696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).