1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

C23H13F3N4O2 — CID 46251399

IUPAC1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESO=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)c1
InChIInChI=1S/C23H13F3N4O2/c24-23(25,26)15-9-10-18-20(11-15)27-13-19-21(14-5-2-1-3-6-14)28-29(22(18)19)16-7-4-8-17(12-16)30(31)32/h1-13H
InChIKeyMVMXNNIJDSJSBT-UHFFFAOYSA-N
MW434.38 g/mol
LogP6.17
Rot. Bonds3

About 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline

1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (PubChem CID 46251399) has the molecular formula C23H13F3N4O2 and a molecular weight of 434.38 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
PubChem CID46251399
Molecular FormulaC23H13F3N4O2
Molecular Weight434.38 g/mol
Exact Mass434.10
IUPAC Name1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline
SMILESO=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)c1
InChIInChI=1S/C23H13F3N4O2/c24-23(25,26)15-9-10-18-20(11-15)27-13-19-21(14-5-2-1-3-6-14)28-29(22(18)19)16-7-4-8-17(12-16)30(31)32/h1-13H
InChIKeyMVMXNNIJDSJSBT-UHFFFAOYSA-N
XLogP6.17
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The IUPAC name of 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline (CID 46251399) is 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The canonical SMILES for 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
The InChIKey is MVMXNNIJDSJSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N4O2/c24-23(25,26)15-9-10-18-20(11-15)27-13-19-21(14-5-2-1-3-6-14)28-29(22(18)19)16-7-4-8-17(12-16)30(31)32/h1-13H.
What are the key properties of 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline?
1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline has a molecular weight of 434.38 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).