3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate

C66H78Cl5IN14O7Si — CID 158935497

About 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate

3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate (PubChem CID 158935497) has the molecular formula C66H78Cl5IN14O7Si and a molecular weight of 1511.70 g/mol. Its IUPAC name is 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

• Compound Name: 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
• PubChem CID: 158935497
• Molecular Formula: C66H78Cl5IN14O7Si
• Molecular Weight: 1511.70 g/mol
• Exact Mass: 1508.34
• IUPAC Name: 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NCc2cccc(Cl)c2)nn1C.Cn1nc(NCc2cccc(Cl)c2)cc1C=O.Cn1nc(NCc2cccc(Cl)c2)cc1CO.O=Cc1cccc(Cl)c1
• InChI: InChI=1S/C16H24ClIN2Si.C13H14ClN3O2.C12H14ClN3O.C12H12ClN3O.C7H5ClO.C6H9N3O2/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-17-11(13(18)19-2)7-12(16-17)15-8-9-4-3-5-10(14)6-9;2*1-16-11(8-17)6-12(15-16)14-7-9-3-2-4-10(13)5-9;8-7-3-1-2-6(4-7)5-9;1-9-4(6(10)11-2)3-5(7)8-9/h7-12H,1-6H3;3-7H,8H2,1-2H3,(H,15,16);2-6,17H,7-8H2,1H3,(H,14,15);2-6,8H,7H2,1H3,(H,14,15);1-5H;3H,1-2H3,(H2,7,8)
• InChIKey: JJPBGFLWDNWJKM-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 258.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.70
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

The IUPAC name of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate (CID 158935497) is 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate.

What is the SMILES notation for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

The canonical SMILES for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cc(Cl)cnc21.COC(=O)c1cc(N)nn1C.COC(=O)c1cc(NCc2cccc(Cl)c2)nn1C.Cn1nc(NCc2cccc(Cl)c2)cc1C=O.Cn1nc(NCc2cccc(Cl)c2)cc1CO.O=Cc1cccc(Cl)c1.

What is the InChIKey of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

The InChIKey is JJPBGFLWDNWJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClIN2Si.C13H14ClN3O2.C12H14ClN3O.C12H12ClN3O.C7H5ClO.C6H9N3O2/c1-10(2)21(11(3)4,12(5)6)20-9-15(18)14-7-13(17)8-19-16(14)20;1-17-11(13(18)19-2)7-12(16-17)15-8-9-4-3-5-10(14)6-9;2*1-16-11(8-17)6-12(15-16)14-7-9-3-2-4-10(13)5-9;8-7-3-1-2-6(4-7)5-9;1-9-4(6(10)11-2)3-5(7)8-9/h7-12H,1-6H3;3-7H,8H2,1-2H3,(H,15,16);2-6,17H,7-8H2,1H3,(H,14,15);2-6,8H,7H2,1H3,(H,14,15);1-5H;3H,1-2H3,(H2,7,8).

What are the key properties of 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate?

3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate has a molecular weight of 1511.70 g/mol, XLogP of 15.41, 18 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chlorobenzaldehyde;(5-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carbaldehyde;[3-[(3-chlorophenyl)methylamino]-1-methylpyrazol-5-yl]methanol;methyl 3-amino-1-methylpyrazole-5-carboxylate;methyl 3-[(3-chlorophenyl)methylamino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 158935497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).