(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one

C15H19N3O — CID 6383687

IUPAC(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(/C=C1/C(=O)N(c2ccccc2)N=C1C)CC
InChIInChI=1S/C15H19N3O/c1-4-17(5-2)11-14-12(3)16-18(15(14)19)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3/b14-11+
InChIKeyNUSAJQNGPJMWHO-SDNWHVSQSA-N
MW257.34 g/mol
LogP2.63
Rot. Bonds4

About (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one

(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one (PubChem CID 6383687) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
PubChem CID6383687
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
SMILESCCN(/C=C1/C(=O)N(c2ccccc2)N=C1C)CC
InChIInChI=1S/C15H19N3O/c1-4-17(5-2)11-14-12(3)16-18(15(14)19)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3/b14-11+
InChIKeyNUSAJQNGPJMWHO-SDNWHVSQSA-N
XLogP2.63
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571
(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one
CID 6081178
(4Z)-4-[[benzyl(hydroxy)amino]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 2860693
(4E)-4-[(4-ethylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 692965
4-[(1-ethylpyrazol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 4774616
4-[[5-(diethylamino)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 91988886
(4E)-4-[(4-fluorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6537766
(4E)-5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]pyrazol-3-one
CID 94844047
(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
CID 6339121
5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
CID 695161
(4E)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
CID 6537378
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3800498

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one (CID 6383687) is (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one is CCN(/C=C1/C(=O)N(c2ccccc2)N=C1C)CC.
What is the InChIKey of (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is NUSAJQNGPJMWHO-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-17(5-2)11-14-12(3)16-18(15(14)19)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3/b14-11+.
What are the key properties of (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one?
(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 257.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 6383687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).