(3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one

C18H11ClFN3O — CID 71511479

IUPAC(3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H11ClFN3O/c19-12-3-6-16-14(8-12)15(18(24)22-16)7-11-9-21-23-17(11)10-1-4-13(20)5-2-10/h1-9H,(H,21,23)(H,22,24)/b15-7-
InChIKeyYTGFNQDOPANIOG-CHHVJCJISA-N
MW339.76 g/mol
LogP4.36
Rot. Bonds2

About (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one (PubChem CID 71511479) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one
PubChem CID71511479
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name(3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H11ClFN3O/c19-12-3-6-16-14(8-12)15(18(24)22-16)7-11-9-21-23-17(11)10-1-4-13(20)5-2-10/h1-9H,(H,21,23)(H,22,24)/b15-7-
InChIKeyYTGFNQDOPANIOG-CHHVJCJISA-N
XLogP4.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one (CID 71511479) is (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one?
The InChIKey is YTGFNQDOPANIOG-CHHVJCJISA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-12-3-6-16-14(8-12)15(18(24)22-16)7-11-9-21-23-17(11)10-1-4-13(20)5-2-10/h1-9H,(H,21,23)(H,22,24)/b15-7-.
What are the key properties of (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one has a molecular weight of 339.76 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71511479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).