2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C124H113F2N19O14S — CID 160788744

About 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 160788744) has the molecular formula C124H113F2N19O14S and a molecular weight of 2163.45 g/mol. Its IUPAC name is 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 160788744
• Molecular Formula: C124H113F2N19O14S
• Molecular Weight: 2163.45 g/mol
• Exact Mass: 2161.84
• IUPAC Name: 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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.O=CC(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1
• InChI: InChI=1S/C27H25N3O2.C20H17F2N3O2.C20H20N4O2.C19H18N4O2.C19H16N2O3.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;21-20(22)25-12-17(18(24-25)15-9-5-2-6-10-15)19(27)23-16(13-26)11-14-7-3-1-4-8-14;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;22-13-16(11-14-7-3-1-4-8-14)21-19(23)17-12-20-24-18(17)15-9-5-2-6-10-15;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);1-10,12-13,16,20H,11H2,(H,23,27);3-10,12-13,17H,11H2,1-2H3,(H,22,26);2-11,13,16H,12H2,1H3,(H,21,25);1-10,12-13,16H,11H2,(H,21,23);1-10,12,15H,11H2,(H,19,23);1H2
• InChIKey: SBOGVJWPRNWLDP-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 442.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.45
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 160788744) is 2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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.O=CC(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is SBOGVJWPRNWLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2.C20H17F2N3O2.C20H20N4O2.C19H18N4O2.C19H16N2O3.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;21-20(22)25-12-17(18(24-25)15-9-5-2-6-10-15)19(27)23-16(13-26)11-14-7-3-1-4-8-14;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;22-13-16(11-14-7-3-1-4-8-14)21-19(23)17-12-20-24-18(17)15-9-5-2-6-10-15;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);1-10,12-13,16,20H,11H2,(H,23,27);3-10,12-13,17H,11H2,1-2H3,(H,22,26);2-11,13,16H,12H2,1H3,(H,21,25);1-10,12-13,16H,11H2,(H,21,23);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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2163.45 g/mol, XLogP of 17.78, 39 rotatable bonds, 6 hydrogen bond donors, and 28 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;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-5-phenyl-1,2-oxazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 160788744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).