1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide

C22H16Cl4N4O — CID 24768472

About 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide

1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 24768472) has the molecular formula C22H16Cl4N4O and a molecular weight of 494.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
• PubChem CID: 24768472
• Molecular Formula: C22H16Cl4N4O
• Molecular Weight: 494.21 g/mol
• Exact Mass: 492.01
• IUPAC Name: 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
• SMILES: Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1
• InChI: InChI=1S/C22H16Cl4N4O/c1-13-20(21(31)27-12-14-4-6-16(23)18(25)10-14)28-30(22(13)29-8-2-3-9-29)15-5-7-17(24)19(26)11-15/h2-11H,12H2,1H3,(H,27,31)
• InChIKey: FJOMFDMZEGTXGE-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 51.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.21
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?

The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 24768472) is 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide.

What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?

The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1.

What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?

The InChIKey is FJOMFDMZEGTXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl4N4O/c1-13-20(21(31)27-12-14-4-6-16(23)18(25)10-14)28-30(22(13)29-8-2-3-9-29)15-5-7-17(24)19(26)11-15/h2-11H,12H2,1H3,(H,27,31).

What are the key properties of 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide?

1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 494.21 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 24768472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).