2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone

C36H30Cl4N6O2 — CID 159697708

About 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone

2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 159697708) has the molecular formula C36H30Cl4N6O2 and a molecular weight of 720.49 g/mol. Its IUPAC name is 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone
• PubChem CID: 159697708
• Molecular Formula: C36H30Cl4N6O2
• Molecular Weight: 720.49 g/mol
• Exact Mass: 718.12
• IUPAC Name: 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone
• SMILES: COC=C(c1ccc(Cl)cc1C)c1c(-c2ccccn2)nn(C)c1Cl.Cc1cc(Cl)ccc1C(=O)c1c(-c2ccccn2)nn(C)c1Cl
• InChI: InChI=1S/C19H17Cl2N3O.C17H13Cl2N3O/c1-12-10-13(20)7-8-14(12)15(11-25-3)17-18(23-24(2)19(17)21)16-6-4-5-9-22-16;1-10-9-11(18)6-7-12(10)16(23)14-15(21-22(2)17(14)19)13-5-3-4-8-20-13/h4-11H,1-3H3;3-9H,1-2H3
• InChIKey: MXFNAPXBZXVTAI-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 87.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.49
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone?

The IUPAC name of 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone (CID 159697708) is 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone.

What is the SMILES notation for 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone?

The canonical SMILES for 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone is COC=C(c1ccc(Cl)cc1C)c1c(-c2ccccn2)nn(C)c1Cl.Cc1cc(Cl)ccc1C(=O)c1c(-c2ccccn2)nn(C)c1Cl.

What is the InChIKey of 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone?

The InChIKey is MXFNAPXBZXVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O.C17H13Cl2N3O/c1-12-10-13(20)7-8-14(12)15(11-25-3)17-18(23-24(2)19(17)21)16-6-4-5-9-22-16;1-10-9-11(18)6-7-12(10)16(23)14-15(21-22(2)17(14)19)13-5-3-4-8-20-13/h4-11H,1-3H3;3-9H,1-2H3.

What are the key properties of 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone?

2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 720.49 g/mol, XLogP of 9.46, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-4-[1-(4-chloro-2-methylphenyl)-2-methoxyethenyl]-1-methylpyrazol-3-yl]pyridine;(4-chloro-2-methylphenyl)-(5-chloro-1-methyl-3-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 159697708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).