4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one

C19H21N3O2 — CID 91988886

IUPAC4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)o1
InChIInChI=1S/C19H21N3O2/c1-4-21(5-2)18-12-11-16(24-18)13-17-14(3)20-22(19(17)23)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeyLVBPHLAXVQTNMV-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.93
Rot. Bonds5

About 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one

4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one (PubChem CID 91988886) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
PubChem CID91988886
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)o1
InChIInChI=1S/C19H21N3O2/c1-4-21(5-2)18-12-11-16(24-18)13-17-14(3)20-22(19(17)23)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeyLVBPHLAXVQTNMV-UHFFFAOYSA-N
XLogP3.93
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[bis(2-methoxyethyl)amino]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 59952825
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6262054
(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 6383687
(4E)-4-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 124650791
4-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 7266464
(4E)-5-methyl-4-[(5-naphthalen-1-ylsulfanylfuran-2-yl)methylidene]-2-phenylpyrazol-3-one
CID 46254813
(4Z)-5-methyl-4-[[5-(4-oxo-1,3-benzodioxin-7-yl)furan-2-yl]methylidene]-2-phenylpyrazol-3-one
CID 50887952
(4E)-4-[(4-ethylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 692965
5-[4-[[5-(diethylamino)furan-2-yl]methylidene]-3-(methylcarbamoylamino)-5-oxopyrazol-1-yl]benzene-1,3-dicarboxylic acid
CID 68548605
ethyl 5-bromo-2-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 50883710
4-[(1-ethylpyrazol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 4774616
2-methyl-5-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 1000578

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one (CID 91988886) is 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one is CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)N=C2C)o1.
What is the InChIKey of 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is LVBPHLAXVQTNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-21(5-2)18-12-11-16(24-18)13-17-14(3)20-22(19(17)23)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3.
What are the key properties of 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 323.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 91988886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).