[2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper

C19H6CuF13N3O2 — CID 177209943

About [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper

[2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper (PubChem CID 177209943) has the molecular formula C19H6CuF13N3O2 and a molecular weight of 618.80 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper.

Molecular Properties

• Compound Name: [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper
• PubChem CID: 177209943
• Molecular Formula: C19H6CuF13N3O2
• Molecular Weight: 618.80 g/mol
• Exact Mass: 617.95
• IUPAC Name: [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper
• SMILES: Cc1nn(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(O)c1C(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1.[Cu]
• InChI: InChI=1S/C19H6F13N3O2.Cu/c1-4-8(15(36)5-2-6(17(24,25)26)33-7(3-5)18(27,28)29)16(37)35(34-4)14-12(22)10(20)9(19(30,31)32)11(21)13(14)23;/h2-3,37H,1H3
• InChIKey: YKIIRSCEPLJRDN-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 68.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.80
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper?

The IUPAC name of [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper (CID 177209943) is [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper.

What is the SMILES notation for [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper?

The canonical SMILES for [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper is Cc1nn(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(O)c1C(=O)c1cc(C(F)(F)F)nc(C(F)(F)F)c1.[Cu].

What is the InChIKey of [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper?

The InChIKey is YKIIRSCEPLJRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H6F13N3O2.Cu/c1-4-8(15(36)5-2-6(17(24,25)26)33-7(3-5)18(27,28)29)16(37)35(34-4)14-12(22)10(20)9(19(30,31)32)11(21)13(14)23;/h2-3,37H,1H3;.

What are the key properties of [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper?

[2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper has a molecular weight of 618.80 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-bis(trifluoromethyl)-4-pyridinyl]-[5-hydroxy-3-methyl-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone;copper is sourced from PubChem (CID 177209943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).