(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one

C20H15FN2O4 — CID 15978838

IUPAC(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one
SMILESCOCC1=NN(c2ccoc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H15FN2O4/c1-25-12-18-16(20(24)23(22-18)13-8-9-26-11-13)10-14-6-7-19(27-14)15-4-2-3-5-17(15)21/h2-11H,12H2,1H3/b16-10-
InChIKeySNKXQMYXGDOTDJ-YBEGLDIGSA-N
MW366.35 g/mol
LogP4.11
Rot. Bonds5

About (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one

(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one (PubChem CID 15978838) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one
PubChem CID15978838
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one
SMILESCOCC1=NN(c2ccoc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H15FN2O4/c1-25-12-18-16(20(24)23(22-18)13-8-9-26-11-13)10-14-6-7-19(27-14)15-4-2-3-5-17(15)21/h2-11H,12H2,1H3/b16-10-
InChIKeySNKXQMYXGDOTDJ-YBEGLDIGSA-N
XLogP4.11
TPSA68.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-(furan-3-yl)-5-oxopyrazol-1-yl]benzoic acid
CID 71119914
4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide
CID 6505367
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6262054
(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-phenyl-5-propylpyrazol-3-one
CID 6113620
(4E)-4-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 46254816
(4Z)-4-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 1325019
2-chloro-5-[(4E)-4-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 5290263
ethyl 5-bromo-2-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 50883710
4-chloro-2-[5-[(E)-[1-(4-fluorophenyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 154725855
(4E)-4-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2,5-diphenylpyrazol-3-one
CID 20833705
3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
CID 77040477

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one?
The IUPAC name of (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one (CID 15978838) is (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one.
What is the SMILES notation for (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one?
The canonical SMILES for (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one is COCC1=NN(c2ccoc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1.
What is the InChIKey of (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one?
The InChIKey is SNKXQMYXGDOTDJ-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H15FN2O4/c1-25-12-18-16(20(24)23(22-18)13-8-9-26-11-13)10-14-6-7-19(27-14)15-4-2-3-5-17(15)21/h2-11H,12H2,1H3/b16-10-.
What are the key properties of (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one?
(4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one has a molecular weight of 366.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-2-(furan-3-yl)-5-(methoxymethyl)pyrazol-3-one is sourced from PubChem (CID 15978838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).