acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine

C54H50Br4F12N20O9 — CID 158894802

About acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine

acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine (PubChem CID 158894802) has the molecular formula C54H50Br4F12N20O9 and a molecular weight of 1670.72 g/mol. Its IUPAC name is acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine.

Molecular Properties

• Compound Name: acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine
• PubChem CID: 158894802
• Molecular Formula: C54H50Br4F12N20O9
• Molecular Weight: 1670.72 g/mol
• Exact Mass: 1666.06
• IUPAC Name: acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine
• SMILES: CC(=O)N1N=C(c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)OC1(C)C.CC(=O)OC(C)=O.CC(C)=NNC(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CCOC(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.NN.NNC(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1
• InChI: InChI=1S/C15H13BrF3N5O2.C13H11BrF3N5O.C12H9BrF3N3O2.C10H7BrF3N5O.C4H6O3.H4N2/c1-8(25)24-14(2,3)26-13(22-24)10-6-11(15(17,18)19)23(21-10)12-5-4-9(16)7-20-12;1-7(2)19-20-12(23)9-5-10(13(15,16)17)22(21-9)11-4-3-8(14)6-18-11;1-2-21-11(20)8-5-9(12(14,15)16)19(18-8)10-4-3-7(13)6-17-10;11-5-1-2-8(16-4-5)19-7(10(12,13)14)3-6(18-19)9(20)17-15;1-3(5)7-4(2)6;1-2/h4-7H,1-3H3;3-6H,1-2H3,(H,20,23);3-6H,2H2,1H3;1-4H,15H2,(H,17,20);1-2H3;1-2H2
• InChIKey: JERWWUHVKKEGFU-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 383.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.72
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine?

The IUPAC name of acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine (CID 158894802) is acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine.

What is the SMILES notation for acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine?

The canonical SMILES for acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine is CC(=O)N1N=C(c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)OC1(C)C.CC(=O)OC(C)=O.CC(C)=NNC(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.CCOC(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.NN.NNC(=O)c1cc(C(F)(F)F)n(-c2ccc(Br)cn2)n1.

What is the InChIKey of acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine?

The InChIKey is JERWWUHVKKEGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N5O2.C13H11BrF3N5O.C12H9BrF3N3O2.C10H7BrF3N5O.C4H6O3.H4N2/c1-8(25)24-14(2,3)26-13(22-24)10-6-11(15(17,18)19)23(21-10)12-5-4-9(16)7-20-12;1-7(2)19-20-12(23)9-5-10(13(15,16)17)22(21-9)11-4-3-8(14)6-18-11;1-2-21-11(20)8-5-9(12(14,15)16)19(18-8)10-4-3-7(13)6-17-10;11-5-1-2-8(16-4-5)19-7(10(12,13)14)3-6(18-19)9(20)17-15;1-3(5)7-4(2)6;1-2/h4-7H,1-3H3;3-6H,1-2H3,(H,20,23);3-6H,2H2,1H3;1-4H,15H2,(H,17,20);1-2H3;1-2H2.

What are the key properties of acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine?

acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine has a molecular weight of 1670.72 g/mol, XLogP of 10.29, 10 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;1-(5-bromo-2-pyridinyl)-N-(propan-2-ylideneamino)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carbohydrazide;1-[5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-2,2-dimethyl-1,3,4-oxadiazol-3-yl]ethanone;ethyl 1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazole-3-carboxylate;hydrazine is sourced from PubChem (CID 158894802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).