acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride

C99H105Cl9F9N31O11S3 — CID 159021361

About acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride

acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride (PubChem CID 159021361) has the molecular formula C99H105Cl9F9N31O11S3 and a molecular weight of 2491.39 g/mol. Its IUPAC name is acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride.

Molecular Properties

• Compound Name: acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride
• PubChem CID: 159021361
• Molecular Formula: C99H105Cl9F9N31O11S3
• Molecular Weight: 2491.39 g/mol
• Exact Mass: 2485.48
• IUPAC Name: acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride
• SMILES: C.CC(=O)Nc1cn(-c2cccnc2)nc1Cl.CC(=O)OC(C)=O.CCN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.Clc1ccn(-c2cccnc2)n1.Nc1cn(-c2cccnc2)nc1Cl.O=C(Cl)CCSCCC(F)(F)F.O=[N+]([O-])c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C16H18ClF3N4O2S.C16H18ClF3N4OS.C12H13ClN4O.C10H9ClN4O.C10H11ClN4.C8H5ClN4O2.C8H7ClN4.C8H6ClN3.C6H8ClF3OS.C4H6O3.CH4/c1-2-23(14(25)5-8-27(26)9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-3-16(9(2)18)11-8-17(15-12(11)13)10-5-4-6-14-7-10;1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;9-8-7(13(14)15)5-12(11-8)6-2-1-3-10-4-6;9-8-7(10)5-13(12-8)6-2-1-3-11-4-6;9-8-3-5-12(11-8)7-2-1-4-10-6-7;7-5(11)1-3-12-4-2-6(8,9)10;1-3(5)7-4(2)6;/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;4-8H,3H2,1-2H3;2-6H,1H3,(H,13,16);3-7,13H,2H2,1H3;1-5H;1-5H,10H2;1-6H;1-4H2;1-2H3;1H4
• InChIKey: JTSZLELGYZEHST-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 494.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2491.39
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?

The IUPAC name of acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride (CID 159021361) is acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride.

What is the SMILES notation for acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?

The canonical SMILES for acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride is C.CC(=O)Nc1cn(-c2cccnc2)nc1Cl.CC(=O)OC(C)=O.CCN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.Clc1ccn(-c2cccnc2)n1.Nc1cn(-c2cccnc2)nc1Cl.O=C(Cl)CCSCCC(F)(F)F.O=[N+]([O-])c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?

The InChIKey is JTSZLELGYZEHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4O2S.C16H18ClF3N4OS.C12H13ClN4O.C10H9ClN4O.C10H11ClN4.C8H5ClN4O2.C8H7ClN4.C8H6ClN3.C6H8ClF3OS.C4H6O3.CH4/c1-2-23(14(25)5-8-27(26)9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-3-16(9(2)18)11-8-17(15-12(11)13)10-5-4-6-14-7-10;1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;9-8-7(13(14)15)5-12(11-8)6-2-1-3-10-4-6;9-8-7(10)5-13(12-8)6-2-1-3-11-4-6;9-8-3-5-12(11-8)7-2-1-4-10-6-7;7-5(11)1-3-12-4-2-6(8,9)10;1-3(5)7-4(2)6;/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;4-8H,3H2,1-2H3;2-6H,1H3,(H,13,16);3-7,13H,2H2,1H3;1-5H;1-5H,10H2;1-6H;1-4H2;1-2H3;1H4.

What are the key properties of acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?

acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride has a molecular weight of 2491.39 g/mol, XLogP of 23.05, 33 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;3-(3-chloro-4-nitropyrazol-1-yl)pyridine;3-(3-chloropyrazol-1-yl)pyridine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;methane;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride is sourced from PubChem (CID 159021361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).