5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one

C17H11F5N4O — CID 177375999

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccccc2)c(C(F)(F)C(F)(F)F)[nH]n1-c1ccccc1
InChIInChI=1S/C17H11F5N4O/c18-16(19,17(20,21)22)14-13(24-23-11-7-3-1-4-8-11)15(27)26(25-14)12-9-5-2-6-10-12/h1-10,25H/b24-23+
InChIKeyZDWBWBIDGBSLJH-WCWDXBQESA-N
MW382.29 g/mol
LogP5.24
Rot. Bonds4

About 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one

5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one (PubChem CID 177375999) has the molecular formula C17H11F5N4O and a molecular weight of 382.29 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
PubChem CID177375999
Molecular FormulaC17H11F5N4O
Molecular Weight382.29 g/mol
Exact Mass382.09
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccccc2)c(C(F)(F)C(F)(F)F)[nH]n1-c1ccccc1
InChIInChI=1S/C17H11F5N4O/c18-16(19,17(20,21)22)14-13(24-23-11-7-3-1-4-8-11)15(27)26(25-14)12-9-5-2-6-10-12/h1-10,25H/b24-23+
InChIKeyZDWBWBIDGBSLJH-WCWDXBQESA-N
XLogP5.24
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one (CID 177375999) is 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one is O=c1c(/N=N/c2ccccc2)c(C(F)(F)C(F)(F)F)[nH]n1-c1ccccc1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The InChIKey is ZDWBWBIDGBSLJH-WCWDXBQESA-N. The full InChI is InChI=1S/C17H11F5N4O/c18-16(19,17(20,21)22)14-13(24-23-11-7-3-1-4-8-11)15(27)26(25-14)12-9-5-2-6-10-12/h1-10,25H/b24-23+.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one has a molecular weight of 382.29 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one is sourced from PubChem (CID 177375999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).