5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide

C25H23Cl2N5O2 — CID 29357963

About 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide

5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide (PubChem CID 29357963) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide.

Molecular Properties

• Compound Name: 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide
• PubChem CID: 29357963
• Molecular Formula: C25H23Cl2N5O2
• Molecular Weight: 496.40 g/mol
• Exact Mass: 495.12
• IUPAC Name: 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide
• SMILES: Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C
• InChI: InChI=1S/C25H23Cl2N5O2/c1-15-13-20(17(3)32(15)19-10-5-4-6-11-19)24(33)28-29-25(34)22-16(2)30-31(23(22)27)14-18-9-7-8-12-21(18)26/h4-13H,14H2,1-3H3,(H,28,33)(H,29,34)
• InChIKey: BETSQKVPAAMYEB-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 80.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.40
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide?

The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide (CID 29357963) is 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide.

What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide?

The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C.

What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide?

The InChIKey is BETSQKVPAAMYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c1-15-13-20(17(3)32(15)19-10-5-4-6-11-19)24(33)28-29-25(34)22-16(2)30-31(23(22)27)14-18-9-7-8-12-21(18)26/h4-13H,14H2,1-3H3,(H,28,33)(H,29,34).

What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide?

5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide has a molecular weight of 496.40 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 29357963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).