1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide

C109H153F9N14O12 — CID 157245310

About 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide

1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide (PubChem CID 157245310) has the molecular formula C109H153F9N14O12 and a molecular weight of 2022.49 g/mol. Its IUPAC name is 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide
• PubChem CID: 157245310
• Molecular Formula: C109H153F9N14O12
• Molecular Weight: 2022.49 g/mol
• Exact Mass: 2021.16
• IUPAC Name: 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide
• SMILES: C=CCN1CCN(C(=O)CC(C)(C)C)C1=O.CC(=O)NCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CNC(=O)C1CC1.CC(C)(C)CC(=O)CNC(=O)c1ccccc1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1N.CC(C)(C)CC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F.Cc1ccc(-n2ncc(C(=O)CC(C)(C)C)c2C(F)(F)F)cc1.Cc1ccccc1-n1ncc(C(=O)CC(C)(C)C)c1C(F)(F)F
• InChI: InChI=1S/2C17H19F3N2O.C15H19N3O.C14H21F3N2O.C14H19NO2.C12H20N2O2.C11H19NO2.C9H17NO2/c1-11-5-7-12(8-6-11)22-15(17(18,19)20)13(10-21-22)14(23)9-16(2,3)4;1-11-7-5-6-8-13(11)22-15(17(18,19)20)12(10-21-22)14(23)9-16(2,3)4;1-15(2,3)9-13(19)12-10-17-18(14(12)16)11-7-5-4-6-8-11;1-12(2,3)7-10(20)9-8-18-19(13(4,5)6)11(9)14(15,16)17;1-14(2,3)9-12(16)10-15-13(17)11-7-5-4-6-8-11;1-5-6-13-7-8-14(11(13)16)10(15)9-12(2,3)4;1-11(2,3)6-9(13)7-12-10(14)8-4-5-8;1-7(11)10-6-8(12)5-9(2,3)4/h2*5-8,10H,9H2,1-4H3;4-8,10H,9,16H2,1-3H3;8H,7H2,1-6H3;4-8H,9-10H2,1-3H3,(H,15,17);5H,1,6-9H2,2-4H3;8H,4-7H2,1-3H3,(H,12,14);5-6H2,1-4H3,(H,10,11)
• InChIKey: AVRPPGQMPQNRCR-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 344.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2022.49
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide?

The IUPAC name of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide (CID 157245310) is 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide.

What is the SMILES notation for 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide?

The canonical SMILES for 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide is C=CCN1CCN(C(=O)CC(C)(C)C)C1=O.CC(=O)NCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CNC(=O)C1CC1.CC(C)(C)CC(=O)CNC(=O)c1ccccc1.CC(C)(C)CC(=O)c1cnn(-c2ccccc2)c1N.CC(C)(C)CC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F.Cc1ccc(-n2ncc(C(=O)CC(C)(C)C)c2C(F)(F)F)cc1.Cc1ccccc1-n1ncc(C(=O)CC(C)(C)C)c1C(F)(F)F.

What is the InChIKey of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide?

The InChIKey is AVRPPGQMPQNRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19F3N2O.C15H19N3O.C14H21F3N2O.C14H19NO2.C12H20N2O2.C11H19NO2.C9H17NO2/c1-11-5-7-12(8-6-11)22-15(17(18,19)20)13(10-21-22)14(23)9-16(2,3)4;1-11-7-5-6-8-13(11)22-15(17(18,19)20)12(10-21-22)14(23)9-16(2,3)4;1-15(2,3)9-13(19)12-10-17-18(14(12)16)11-7-5-4-6-8-11;1-12(2,3)7-10(20)9-8-18-19(13(4,5)6)11(9)14(15,16)17;1-14(2,3)9-12(16)10-15-13(17)11-7-5-4-6-8-11;1-5-6-13-7-8-14(11(13)16)10(15)9-12(2,3)4;1-11(2,3)6-9(13)7-12-10(14)8-4-5-8;1-7(11)10-6-8(12)5-9(2,3)4/h2*5-8,10H,9H2,1-4H3;4-8,10H,9,16H2,1-3H3;8H,7H2,1-6H3;4-8H,9-10H2,1-3H3,(H,15,17);5H,1,6-9H2,2-4H3;8H,4-7H2,1-3H3,(H,12,14);5-6H2,1-4H3,(H,10,11).

What are the key properties of 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide?

1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide has a molecular weight of 2022.49 g/mol, XLogP of 23.93, 25 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-amino-1-phenylpyrazol-4-yl)-3,3-dimethylbutan-1-one;1-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-3,3-dimethylbutan-1-one;1-(3,3-dimethylbutanoyl)-3-prop-2-enylimidazolidin-2-one;3,3-dimethyl-1-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;3,3-dimethyl-1-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]butan-1-one;N-(4,4-dimethyl-2-oxopentyl)acetamide;N-(4,4-dimethyl-2-oxopentyl)benzamide;N-(4,4-dimethyl-2-oxopentyl)cyclopropanecarboxamide is sourced from PubChem (CID 157245310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).