2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide

C70H100N16O11Si2 — CID 158059327

About 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide

2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide (PubChem CID 158059327) has the molecular formula C70H100N16O11Si2 and a molecular weight of 1397.84 g/mol. Its IUPAC name is 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide
• PubChem CID: 158059327
• Molecular Formula: C70H100N16O11Si2
• Molecular Weight: 1397.84 g/mol
• Exact Mass: 1396.73
• IUPAC Name: 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide
• SMILES: C1CCOC1.CC(C)(C)[Si](C)(C)OCCCn1ccc(CC(N)=O)n1.CCCCn1cc(C2=C(c3ccn(CCCO[Si](C)(C)C(C)(C)C)n3)C(=O)NC2=O)c2cccnc21.NC(=O)Cc1ccn[nH]1.O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccn(CCCO)n1
• InChI: InChI=1S/C27H37N5O3Si.C20H21N5O4.C14H27N3O2Si.C5H7N3O.C4H8O/c1-7-8-14-31-18-20(19-11-9-13-28-24(19)31)22-23(26(34)29-25(22)33)21-12-16-32(30-21)15-10-17-35-36(5,6)27(2,3)4;26-10-2-7-24-12-14(13-4-1-6-21-18(13)24)16-17(20(29)22-19(16)28)15-5-9-25(23-15)8-3-11-27;1-14(2,3)20(4,5)19-10-6-8-17-9-7-12(16-17)11-13(15)18;6-5(9)3-4-1-2-7-8-4;1-2-4-5-3-1/h9,11-13,16,18H,7-8,10,14-15,17H2,1-6H3,(H,29,33,34);1,4-6,9,12,26-27H,2-3,7-8,10-11H2,(H,22,28,29);7,9H,6,8,10-11H2,1-5H3,(H2,15,18);1-2H,3H2,(H2,6,9)(H,7,8);1-4H2
• InChIKey: FKLNPSIHGFBYRA-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 364.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1397.84
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide?

The IUPAC name of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide (CID 158059327) is 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide.

What is the SMILES notation for 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide?

The canonical SMILES for 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide is C1CCOC1.CC(C)(C)[Si](C)(C)OCCCn1ccc(CC(N)=O)n1.CCCCn1cc(C2=C(c3ccn(CCCO[Si](C)(C)C(C)(C)C)n3)C(=O)NC2=O)c2cccnc21.NC(=O)Cc1ccn[nH]1.O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccn(CCCO)n1.

What is the InChIKey of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide?

The InChIKey is FKLNPSIHGFBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3Si.C20H21N5O4.C14H27N3O2Si.C5H7N3O.C4H8O/c1-7-8-14-31-18-20(19-11-9-13-28-24(19)31)22-23(26(34)29-25(22)33)21-12-16-32(30-21)15-10-17-35-36(5,6)27(2,3)4;26-10-2-7-24-12-14(13-4-1-6-21-18(13)24)16-17(20(29)22-19(16)28)15-5-9-25(23-15)8-3-11-27;1-14(2,3)20(4,5)19-10-6-8-17-9-7-12(16-17)11-13(15)18;6-5(9)3-4-1-2-7-8-4;1-2-4-5-3-1/h9,11-13,16,18H,7-8,10,14-15,17H2,1-6H3,(H,29,33,34);1,4-6,9,12,26-27H,2-3,7-8,10-11H2,(H,22,28,29);7,9H,6,8,10-11H2,1-5H3,(H2,15,18);1-2H,3H2,(H2,6,9)(H,7,8);1-4H2.

What are the key properties of 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide?

2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 1397.84 g/mol, XLogP of 8.13, 27 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]acetamide;3-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrazol-3-yl]-4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;3-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione;oxolane;2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 158059327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).