N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide

C22H27Cl3N4O — CID 143395100

IUPACN'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide
SMILESCCCCN(C)NC(=O)C1NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C22H27Cl3N4O/c1-4-5-12-28(3)27-22(30)20-14(2)21(15-6-8-16(23)9-7-15)29(26-20)19-11-10-17(24)13-18(19)25/h6-11,13-14,20-21,26H,4-5,12H2,1-3H3,(H,27,30)
InChIKeyQRJPHQFWGYVEMS-UHFFFAOYSA-N
MW469.84 g/mol
LogP5.48
Rot. Bonds7

About N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide

N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide (PubChem CID 143395100) has the molecular formula C22H27Cl3N4O and a molecular weight of 469.84 g/mol. Its IUPAC name is N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide
PubChem CID143395100
Molecular FormulaC22H27Cl3N4O
Molecular Weight469.84 g/mol
Exact Mass468.13
IUPAC NameN'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide
SMILESCCCCN(C)NC(=O)C1NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C22H27Cl3N4O/c1-4-5-12-28(3)27-22(30)20-14(2)21(15-6-8-16(23)9-7-15)29(26-20)19-11-10-17(24)13-18(19)25/h6-11,13-14,20-21,26H,4-5,12H2,1-3H3,(H,27,30)
InChIKeyQRJPHQFWGYVEMS-UHFFFAOYSA-N
XLogP5.48
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.84
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide?
The IUPAC name of N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide (CID 143395100) is N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide.
What is the SMILES notation for N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide?
The canonical SMILES for N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide is CCCCN(C)NC(=O)C1NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C.
What is the InChIKey of N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide?
The InChIKey is QRJPHQFWGYVEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl3N4O/c1-4-5-12-28(3)27-22(30)20-14(2)21(15-6-8-16(23)9-7-15)29(26-20)19-11-10-17(24)13-18(19)25/h6-11,13-14,20-21,26H,4-5,12H2,1-3H3,(H,27,30).
What are the key properties of N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide?
N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide has a molecular weight of 469.84 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N',4-dimethylpyrazolidine-3-carbohydrazide is sourced from PubChem (CID 143395100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).