3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole

C20H14F4N4 — CID 1069290

IUPAC3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole
SMILESFC(F)(c1cc(-c2ccccc2)n[nH]1)C(F)(F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H14F4N4/c21-19(22,17-11-15(25-27-17)13-7-3-1-4-8-13)20(23,24)18-12-16(26-28-18)14-9-5-2-6-10-14/h1-12H,(H,25,27)(H,26,28)
InChIKeyIJIFZQUUWFMNIF-UHFFFAOYSA-N
MW386.35 g/mol
LogP5.35
Rot. Bonds5

About 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole

3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole (PubChem CID 1069290) has the molecular formula C20H14F4N4 and a molecular weight of 386.35 g/mol. Its IUPAC name is 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole
PubChem CID1069290
Molecular FormulaC20H14F4N4
Molecular Weight386.35 g/mol
Exact Mass386.12
IUPAC Name3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole
SMILESFC(F)(c1cc(-c2ccccc2)n[nH]1)C(F)(F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H14F4N4/c21-19(22,17-11-15(25-27-17)13-7-3-1-4-8-13)20(23,24)18-12-16(26-28-18)14-9-5-2-6-10-14/h1-12H,(H,25,27)(H,26,28)
InChIKeyIJIFZQUUWFMNIF-UHFFFAOYSA-N
XLogP5.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.35
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole?
The IUPAC name of 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole (CID 1069290) is 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole is FC(F)(c1cc(-c2ccccc2)n[nH]1)C(F)(F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole?
The InChIKey is IJIFZQUUWFMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4/c21-19(22,17-11-15(25-27-17)13-7-3-1-4-8-13)20(23,24)18-12-16(26-28-18)14-9-5-2-6-10-14/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole?
3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole has a molecular weight of 386.35 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1,1,2,2-tetrafluoro-2-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole is sourced from PubChem (CID 1069290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).