3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide

C25H29Cl3N4O — CID 143395120

About 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide (PubChem CID 143395120) has the molecular formula C25H29Cl3N4O and a molecular weight of 507.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide
• PubChem CID: 143395120
• Molecular Formula: C25H29Cl3N4O
• Molecular Weight: 507.89 g/mol
• Exact Mass: 506.14
• IUPAC Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide
• SMILES: CC1CCCC1CN(C)NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C
• InChI: InChI=1S/C25H29Cl3N4O/c1-15-5-4-6-18(15)14-31(3)30-25(33)23-16(2)24(17-7-9-19(26)10-8-17)32(29-23)22-12-11-20(27)13-21(22)28/h7-13,15-16,18,24H,4-6,14H2,1-3H3,(H,30,33)
• InChIKey: OFEJPPYTCZLVKS-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 47.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.89
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
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 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide?

The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide (CID 143395120) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide.

What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide?

The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide is CC1CCCC1CN(C)NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C.

What is the InChIKey of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide?

The InChIKey is OFEJPPYTCZLVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl3N4O/c1-15-5-4-6-18(15)14-31(3)30-25(33)23-16(2)24(17-7-9-19(26)10-8-17)32(29-23)22-12-11-20(27)13-21(22)28/h7-13,15-16,18,24H,4-6,14H2,1-3H3,(H,30,33).

What are the key properties of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide?

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide has a molecular weight of 507.89 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N',4-dimethyl-N'-[(2-methylcyclopentyl)methyl]-3,4-dihydropyrazole-5-carbohydrazide is sourced from PubChem (CID 143395120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).