5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide

C27H20Cl4N4O2 — CID 25149717

About 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide

5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide (PubChem CID 25149717) has the molecular formula C27H20Cl4N4O2 and a molecular weight of 574.30 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide
• PubChem CID: 25149717
• Molecular Formula: C27H20Cl4N4O2
• Molecular Weight: 574.30 g/mol
• Exact Mass: 572.03
• IUPAC Name: 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide
• SMILES: Cc1c(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C27H20Cl4N4O2/c1-15-23(25(36)32-33-26(37)27(12-13-27)17-4-8-19(29)9-5-17)34-35(22-11-10-20(30)14-21(22)31)24(15)16-2-6-18(28)7-3-16/h2-11,14H,12-13H2,1H3,(H,32,36)(H,33,37)
• InChIKey: CSNCJUBIVRGIRV-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.30
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide?

The IUPAC name of 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide (CID 25149717) is 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide.

What is the SMILES notation for 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide?

The canonical SMILES for 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide is Cc1c(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.

What is the InChIKey of 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide?

The InChIKey is CSNCJUBIVRGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl4N4O2/c1-15-23(25(36)32-33-26(37)27(12-13-27)17-4-8-19(29)9-5-17)34-35(22-11-10-20(30)14-21(22)31)24(15)16-2-6-18(28)7-3-16/h2-11,14H,12-13H2,1H3,(H,32,36)(H,33,37).

What are the key properties of 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide?

5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide has a molecular weight of 574.30 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 25149717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).