(5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one

C15H13FN2O — CID 47037510

IUPAC(5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one
SMILESCn1ncc2c1CC/C(=C\c1ccc(F)cc1)C2=O
InChIInChI=1S/C15H13FN2O/c1-18-14-7-4-11(15(19)13(14)9-17-18)8-10-2-5-12(16)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3/b11-8+
InChIKeyWGODTMOTUOTGKO-DHZHZOJOSA-N
MW256.28 g/mol
LogP2.77
Rot. Bonds1

About (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one

(5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one (PubChem CID 47037510) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one
PubChem CID47037510
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one
SMILESCn1ncc2c1CC/C(=C\c1ccc(F)cc1)C2=O
InChIInChI=1S/C15H13FN2O/c1-18-14-7-4-11(15(19)13(14)9-17-18)8-10-2-5-12(16)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3/b11-8+
InChIKeyWGODTMOTUOTGKO-DHZHZOJOSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one?
The IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one (CID 47037510) is (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one.
What is the SMILES notation for (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one?
The canonical SMILES for (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one is Cn1ncc2c1CC/C(=C\c1ccc(F)cc1)C2=O.
What is the InChIKey of (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one?
The InChIKey is WGODTMOTUOTGKO-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-18-14-7-4-11(15(19)13(14)9-17-18)8-10-2-5-12(16)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3/b11-8+.
What are the key properties of (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one?
(5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one has a molecular weight of 256.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-fluorophenyl)methylidene]-1-methyl-6,7-dihydroindazol-4-one is sourced from PubChem (CID 47037510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).