5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide

C23H24Cl3N3O — CID 10972649

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C23H24Cl3N3O/c1-3-4-5-6-13-27-23(30)21-15(2)22(16-7-9-17(24)10-8-16)29(28-21)20-12-11-18(25)14-19(20)26/h7-12,14H,3-6,13H2,1-2H3,(H,27,30)
InChIKeyQRZDLEJRUISZCE-UHFFFAOYSA-N
MW464.82 g/mol
LogP7.12
Rot. Bonds8

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide (PubChem CID 10972649) has the molecular formula C23H24Cl3N3O and a molecular weight of 464.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide
PubChem CID10972649
Molecular FormulaC23H24Cl3N3O
Molecular Weight464.82 g/mol
Exact Mass463.10
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C23H24Cl3N3O/c1-3-4-5-6-13-27-23(30)21-15(2)22(16-7-9-17(24)10-8-16)29(28-21)20-12-11-18(25)14-19(20)26/h7-12,14H,3-6,13H2,1-2H3,(H,27,30)
InChIKeyQRZDLEJRUISZCE-UHFFFAOYSA-N
XLogP7.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide (CID 10972649) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide is CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide?
The InChIKey is QRZDLEJRUISZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl3N3O/c1-3-4-5-6-13-27-23(30)21-15(2)22(16-7-9-17(24)10-8-16)29(28-21)20-12-11-18(25)14-19(20)26/h7-12,14H,3-6,13H2,1-2H3,(H,27,30).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide has a molecular weight of 464.82 g/mol, XLogP of 7.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexyl-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 10972649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).