1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde

C110H146ClN21O26S2 — CID 159533795

About 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde

1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde (PubChem CID 159533795) has the molecular formula C110H146ClN21O26S2 and a molecular weight of 2278.09 g/mol. Its IUPAC name is 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde
• PubChem CID: 159533795
• Molecular Formula: C110H146ClN21O26S2
• Molecular Weight: 2278.09 g/mol
• Exact Mass: 2275.99
• IUPAC Name: 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde
• SMILES: CC(=O)N1C2CCC1CC(n1cc(C=O)cn1)C2.CC(=O)N1C2CCC1CC(n1cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn1)C2.CC(C)(C)OC(=O)N1C2CCC1CC(O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(OS(C)(=O)=O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(C=O)cn1)C2.CS(=O)(=O)Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=Cc1cn[nH]c1.O=Cc1cnn(C2CC3CCC(C3)C2)c1
• InChI: InChI=1S/C26H28N6O5.C16H23N3O3.C13H11N3O4.C13H17N3O2.C13H23NO5S.C12H16N2O.C12H21NO3.C4H4N2O.CH3ClO2S/c1-14(33)31-16-5-6-17(31)10-18(9-16)30-13-15(12-28-30)11-27-20-4-2-3-19-23(20)26(37)32(25(19)36)21-7-8-22(34)29-24(21)35;1-16(2,3)22-15(21)19-12-4-5-13(19)7-14(6-12)18-9-11(10-20)8-17-18;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(18)16-11-2-3-12(16)5-13(4-11)15-7-10(8-17)6-14-15;1-13(2,3)18-12(15)14-9-5-6-10(14)8-11(7-9)19-20(4,16)17;15-8-11-6-13-14(7-11)12-4-9-1-2-10(3-9)5-12;1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;7-3-4-1-5-6-2-4;1-5(2,3)4/h2-4,12-13,16-18,21,27H,5-11H2,1H3,(H,29,34,35);8-10,12-14H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);6-8,11-13H,2-5H2,1H3;9-11H,5-8H2,1-4H3;6-10,12H,1-5H2;8-10,14H,4-7H2,1-3H3;1-3H,(H,5,6);1H3
• InChIKey: MDIJMZFDXMDVSU-UHFFFAOYSA-N
• XLogP: 12.15
• TPSA: 600.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.09
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?

The IUPAC name of 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde (CID 159533795) is 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde.

What is the SMILES notation for 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?

The canonical SMILES for 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde is CC(=O)N1C2CCC1CC(n1cc(C=O)cn1)C2.CC(=O)N1C2CCC1CC(n1cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn1)C2.CC(C)(C)OC(=O)N1C2CCC1CC(O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(OS(C)(=O)=O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(n1cc(C=O)cn1)C2.CS(=O)(=O)Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=Cc1cn[nH]c1.O=Cc1cnn(C2CC3CCC(C3)C2)c1.

What is the InChIKey of 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?

The InChIKey is MDIJMZFDXMDVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5.C16H23N3O3.C13H11N3O4.C13H17N3O2.C13H23NO5S.C12H16N2O.C12H21NO3.C4H4N2O.CH3ClO2S/c1-14(33)31-16-5-6-17(31)10-18(9-16)30-13-15(12-28-30)11-27-20-4-2-3-19-23(20)26(37)32(25(19)36)21-7-8-22(34)29-24(21)35;1-16(2,3)22-15(21)19-12-4-5-13(19)7-14(6-12)18-9-11(10-20)8-17-18;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(18)16-11-2-3-12(16)5-13(4-11)15-7-10(8-17)6-14-15;1-13(2,3)18-12(15)14-9-5-6-10(14)8-11(7-9)19-20(4,16)17;15-8-11-6-13-14(7-11)12-4-9-1-2-10(3-9)5-12;1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;7-3-4-1-5-6-2-4;1-5(2,3)4/h2-4,12-13,16-18,21,27H,5-11H2,1H3,(H,29,34,35);8-10,12-14H,4-7H2,1-3H3;1-3,8H,4-5,14H2,(H,15,17,18);6-8,11-13H,2-5H2,1H3;9-11H,5-8H2,1-4H3;6-10,12H,1-5H2;8-10,14H,4-7H2,1-3H3;1-3H,(H,5,6);1H3.

What are the key properties of 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?

1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde has a molecular weight of 2278.09 g/mol, XLogP of 12.15, 15 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazole-4-carbaldehyde;4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-(3-bicyclo[3.2.1]octanyl)pyrazole-4-carbaldehyde;tert-butyl 3-(4-formylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 159533795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).