1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C22H18Cl2N4O — CID 4271520

About 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 4271520) has the molecular formula C22H18Cl2N4O and a molecular weight of 425.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
• PubChem CID: 4271520
• Molecular Formula: C22H18Cl2N4O
• Molecular Weight: 425.32 g/mol
• Exact Mass: 424.09
• IUPAC Name: 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc(-c3cccn3C)nn2-c2ccc(Cl)c(Cl)c2)cc1
• InChI: InChI=1S/C22H18Cl2N4O/c1-14-5-7-15(8-6-14)25-22(29)21-13-19(20-4-3-11-27(20)2)26-28(21)16-9-10-17(23)18(24)12-16/h3-13H,1-2H3,(H,25,29)
• InChIKey: BZSVPSWTOFKQIH-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 51.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.32
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

The IUPAC name of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 4271520) is 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccn3C)nn2-c2ccc(Cl)c(Cl)c2)cc1.

What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

The InChIKey is BZSVPSWTOFKQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O/c1-14-5-7-15(8-6-14)25-22(29)21-13-19(20-4-3-11-27(20)2)26-28(21)16-9-10-17(23)18(24)12-16/h3-13H,1-2H3,(H,25,29).

What are the key properties of 1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?

1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 5.75, 4 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-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4271520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).