5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

C23H17Cl3N4O — CID 56658151

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)cn1
InChIInChI=1S/C23H17Cl3N4O/c1-13-3-9-18(12-27-13)28-23(31)21-14(2)22(15-4-6-16(24)7-5-15)30(29-21)20-10-8-17(25)11-19(20)26/h3-12H,1-2H3,(H,28,31)
InChIKeyXQIUOZXRVSDJGB-UHFFFAOYSA-N
MW471.78 g/mol
LogP6.76
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 56658151) has the molecular formula C23H17Cl3N4O and a molecular weight of 471.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID56658151
Molecular FormulaC23H17Cl3N4O
Molecular Weight471.78 g/mol
Exact Mass470.05
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)cn1
InChIInChI=1S/C23H17Cl3N4O/c1-13-3-9-18(12-27-13)28-23(31)21-14(2)22(15-4-6-16(24)7-5-15)30(29-21)20-10-8-17(25)11-19(20)26/h3-12H,1-2H3,(H,28,31)
InChIKeyXQIUOZXRVSDJGB-UHFFFAOYSA-N
XLogP6.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.78
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (CID 56658151) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is XQIUOZXRVSDJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N4O/c1-13-3-9-18(12-27-13)28-23(31)21-14(2)22(15-4-6-16(24)7-5-15)30(29-21)20-10-8-17(25)11-19(20)26/h3-12H,1-2H3,(H,28,31).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 471.78 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56658151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).