2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C105H97FN16O12S — CID 158659303

About 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide

2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 158659303) has the molecular formula C105H97FN16O12S and a molecular weight of 1826.10 g/mol. Its IUPAC name is 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 158659303
• Molecular Formula: C105H97FN16O12S
• Molecular Weight: 1826.10 g/mol
• Exact Mass: 1824.72
• IUPAC Name: 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• SMILES: C=O.Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2cccc(Cc3ccccc3)c2)n1.Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2ccccn2)n1.Cc1ccc(-n2nc(C)cc2C(=O)NC(C=O)Cc2ccccc2)nc1.Cc1nc(-c2ccccc2F)c(C(=O)NC(C=O)Cc2ccccc2)o1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1
• InChI: InChI=1S/C27H25N3O2.C20H17FN2O3.C20H20N4O2.C19H18N4O2.C18H15N3O2S.CH2O/c1-20-15-26(27(32)28-24(19-31)17-22-11-6-3-7-12-22)30(29-20)25-14-8-13-23(18-25)16-21-9-4-2-5-10-21;1-13-22-18(16-9-5-6-10-17(16)21)19(26-13)20(25)23-15(12-24)11-14-7-3-2-4-8-14;1-14-8-9-19(21-12-14)24-18(10-15(2)23-24)20(26)22-17(13-25)11-16-6-4-3-5-7-16;1-14-11-17(23(22-14)18-9-5-6-10-20-18)19(25)21-16(13-24)12-15-7-3-2-4-8-15;22-12-15(11-13-7-3-1-4-8-13)19-18(23)17-16(20-24-21-17)14-9-5-2-6-10-14;1-2/h2-15,18-19,24H,16-17H2,1H3,(H,28,32);2-10,12,15H,11H2,1H3,(H,23,25);3-10,12-13,17H,11H2,1-2H3,(H,22,26);2-11,13,16H,12H2,1H3,(H,21,25);1-10,12,15H,11H2,(H,19,23);1H2
• InChIKey: ICNYQDXDJJQICZ-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 378.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1826.10
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 158659303) is 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide is C=O.Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2cccc(Cc3ccccc3)c2)n1.Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2ccccn2)n1.Cc1ccc(-n2nc(C)cc2C(=O)NC(C=O)Cc2ccccc2)nc1.Cc1nc(-c2ccccc2F)c(C(=O)NC(C=O)Cc2ccccc2)o1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.

What is the InChIKey of 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is ICNYQDXDJJQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2.C20H17FN2O3.C20H20N4O2.C19H18N4O2.C18H15N3O2S.CH2O/c1-20-15-26(27(32)28-24(19-31)17-22-11-6-3-7-12-22)30(29-20)25-14-8-13-23(18-25)16-21-9-4-2-5-10-21;1-13-22-18(16-9-5-6-10-17(16)21)19(26-13)20(25)23-15(12-24)11-14-7-3-2-4-8-14;1-14-8-9-19(21-12-14)24-18(10-15(2)23-24)20(26)22-17(13-25)11-16-6-4-3-5-7-16;1-14-11-17(23(22-14)18-9-5-6-10-20-18)19(25)21-16(13-24)12-15-7-3-2-4-8-15;22-12-15(11-13-7-3-1-4-8-13)19-18(23)17-16(20-24-21-17)14-9-5-2-6-10-14;1-2/h2-15,18-19,24H,16-17H2,1H3,(H,28,32);2-10,12,15H,11H2,1H3,(H,23,25);3-10,12-13,17H,11H2,1-2H3,(H,22,26);2-11,13,16H,12H2,1H3,(H,21,25);1-10,12,15H,11H2,(H,19,23);1H2.

What are the key properties of 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 1826.10 g/mol, XLogP of 14.74, 32 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 158659303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).