N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide

C26H24N4O2 — CID 122149765

IUPACN'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide
SMILESCc1ccc(-n2nc(NC(=O)C(=O)Nc3ccc(-c4ccccc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C26H24N4O2/c1-17-9-12-22(13-10-17)30-19(3)16-24(29-30)28-26(32)25(31)27-21-11-14-23(18(2)15-21)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,27,31)(H,28,29,32)
InChIKeyHBKZDIZYOMLMMI-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.04
Rot. Bonds4

About N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide

N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide (PubChem CID 122149765) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide.

Molecular Properties

Compound NameN'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide
PubChem CID122149765
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide
SMILESCc1ccc(-n2nc(NC(=O)C(=O)Nc3ccc(-c4ccccc4)c(C)c3)cc2C)cc1
InChIInChI=1S/C26H24N4O2/c1-17-9-12-22(13-10-17)30-19(3)16-24(29-30)28-26(32)25(31)27-21-11-14-23(18(2)15-21)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,27,31)(H,28,29,32)
InChIKeyHBKZDIZYOMLMMI-UHFFFAOYSA-N
XLogP5.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
N-(4-methyl-3-phenylphenyl)-2-oxopropanamide
CID 110478364
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
1-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122088889
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
N'-[(2R)-1-cyanopropan-2-yl]-N'-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]oxamide
CID 129381763
1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea
CID 166211629
1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 167897122
1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 138998233
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 154737436
3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide
CID 174491616

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide?
The IUPAC name of N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide (CID 122149765) is N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide.
What is the SMILES notation for N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide?
The canonical SMILES for N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide is Cc1ccc(-n2nc(NC(=O)C(=O)Nc3ccc(-c4ccccc4)c(C)c3)cc2C)cc1.
What is the InChIKey of N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide?
The InChIKey is HBKZDIZYOMLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17-9-12-22(13-10-17)30-19(3)16-24(29-30)28-26(32)25(31)27-21-11-14-23(18(2)15-21)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,27,31)(H,28,29,32).
What are the key properties of N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide?
N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide has a molecular weight of 424.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-N-(3-methyl-4-phenylphenyl)oxamide is sourced from PubChem (CID 122149765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).