4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide

C24H26N6O — CID 75430565

IUPAC4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide
SMILESCc1ccc(-n2ncc(C(C)NC(=O)c3ccc(-c4nnc(C)n4C)cc3)c2C)cc1
InChIInChI=1S/C24H26N6O/c1-15-6-12-21(13-7-15)30-17(3)22(14-25-30)16(2)26-24(31)20-10-8-19(9-11-20)23-28-27-18(4)29(23)5/h6-14,16H,1-5H3,(H,26,31)
InChIKeyWLHZIKKVDCZMLW-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.08
Rot. Bonds5

About 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide

4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide (PubChem CID 75430565) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide
PubChem CID75430565
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide
SMILESCc1ccc(-n2ncc(C(C)NC(=O)c3ccc(-c4nnc(C)n4C)cc3)c2C)cc1
InChIInChI=1S/C24H26N6O/c1-15-6-12-21(13-7-15)30-17(3)22(14-25-30)16(2)26-24(31)20-10-8-19(9-11-20)23-28-27-18(4)29(23)5/h6-14,16H,1-5H3,(H,26,31)
InChIKeyWLHZIKKVDCZMLW-UHFFFAOYSA-N
XLogP4.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide?
The IUPAC name of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide (CID 75430565) is 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide?
The canonical SMILES for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide is Cc1ccc(-n2ncc(C(C)NC(=O)c3ccc(-c4nnc(C)n4C)cc3)c2C)cc1.
What is the InChIKey of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide?
The InChIKey is WLHZIKKVDCZMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-15-6-12-21(13-7-15)30-17(3)22(14-25-30)16(2)26-24(31)20-10-8-19(9-11-20)23-28-27-18(4)29(23)5/h6-14,16H,1-5H3,(H,26,31).
What are the key properties of 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide?
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 75430565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).