(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one

C19H19N3O — CID 5472494

IUPAC(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3/b18-13+
InChIKeyYJCRUYAVDCDVCD-QGOAFFKASA-N
MW305.38 g/mol
LogP3.56
Rot. Bonds3

About (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one

(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one (PubChem CID 5472494) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
PubChem CID5472494
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3/b18-13+
InChIKeyYJCRUYAVDCDVCD-QGOAFFKASA-N
XLogP3.56
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one (CID 5472494) is (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1.
What is the InChIKey of (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is YJCRUYAVDCDVCD-QGOAFFKASA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3/b18-13+.
What are the key properties of (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 305.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 5472494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).