cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate

C59H82F9N15O7 — CID 162151845

About cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate

cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate (PubChem CID 162151845) has the molecular formula C59H82F9N15O7 and a molecular weight of 1284.38 g/mol. Its IUPAC name is cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate.

Molecular Properties

• Compound Name: cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate
• PubChem CID: 162151845
• Molecular Formula: C59H82F9N15O7
• Molecular Weight: 1284.38 g/mol
• Exact Mass: 1283.64
• IUPAC Name: cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate
• SMILES: CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCCCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCNCC3)ccn2)ccn1.NNC1CCCCC1.O.O=C1CCCCC1.O=CC(F)(F)F.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C23H26F3N5O2.C22H25F3N6O2.C6H14N2.C6H10O.C2HF3O.H2N2.H2O.H2/c1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16;1-21(2,32)17-11-14(3-9-27-17)29-19-12-16(6-10-28-19)33-20-13-18(22(23,24)25)30-31(20)15-4-7-26-8-5-15;7-8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;3-2(4,5)1-6;1-2;;/h8-14,16,32H,3-7H2,1-2H3,(H,27,28,29);3,6,9-13,15,26,32H,4-5,7-8H2,1-2H3,(H,27,28,29);6,8H,1-5,7H2;1-5H2;1H;1-2H;1H2;1H/b;;;;;2-1+
• InChIKey: XBCNIZFTESOJBU-ORVPXZGSSA-N
• XLogP: 13.41
• TPSA: 333.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1284.38
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate?

The IUPAC name of cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate (CID 162151845) is cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate.

What is the SMILES notation for cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate?

The canonical SMILES for cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate is CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCCCC3)ccn2)ccn1.CC(C)(O)c1cc(Nc2cc(Oc3cc(C(F)(F)F)nn3C3CCNCC3)ccn2)ccn1.NNC1CCCCC1.O.O=C1CCCCC1.O=CC(F)(F)F.[H]/N=N/[H].[H][H].

What is the InChIKey of cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate?

The InChIKey is XBCNIZFTESOJBU-ORVPXZGSSA-N. The full InChI is InChI=1S/C23H26F3N5O2.C22H25F3N6O2.C6H14N2.C6H10O.C2HF3O.H2N2.H2O.H2/c1-22(2,32)18-12-15(8-10-27-18)29-20-13-17(9-11-28-20)33-21-14-19(23(24,25)26)30-31(21)16-6-4-3-5-7-16;1-21(2,32)17-11-14(3-9-27-17)29-19-12-16(6-10-28-19)33-20-13-18(22(23,24)25)30-31(20)15-4-7-26-8-5-15;7-8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;3-2(4,5)1-6;1-2;;/h8-14,16,32H,3-7H2,1-2H3,(H,27,28,29);3,6,9-13,15,26,32H,4-5,7-8H2,1-2H3,(H,27,28,29);6,8H,1-5,7H2;1-5H2;1H;1-2H;1H2;1H/b;;;;;2-1+;;.

What are the key properties of cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate?

cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate has a molecular weight of 1284.38 g/mol, XLogP of 13.41, 13 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexanone;cyclohexylhydrazine;2-[4-[[4-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;diazene;molecular hydrogen;2-[4-[[4-[1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol;2,2,2-trifluoroacetaldehyde;hydrate is sourced from PubChem (CID 162151845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).