(4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one

C17H15N3O2 — CID 2861782

IUPAC(4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\N(O)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-13-16(12-19(22)14-8-4-2-5-9-14)17(21)20(18-13)15-10-6-3-7-11-15/h2-12,22H,1H3/b16-12-
InChIKeyJSFUMEKZWNJZDE-VBKFSLOCSA-N
MW293.33 g/mol
LogP3.19
Rot. Bonds3

About (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one

(4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one (PubChem CID 2861782) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
PubChem CID2861782
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\N(O)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-13-16(12-19(22)14-8-4-2-5-9-14)17(21)20(18-13)15-10-6-3-7-11-15/h2-12,22H,1H3/b16-12-
InChIKeyJSFUMEKZWNJZDE-VBKFSLOCSA-N
XLogP3.19
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-4-[(N-hydroxyanilino)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 (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one (CID 2861782) is (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\N(O)c1ccccc1.
What is the InChIKey of (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is JSFUMEKZWNJZDE-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-13-16(12-19(22)14-8-4-2-5-9-14)17(21)20(18-13)15-10-6-3-7-11-15/h2-12,22H,1H3/b16-12-.
What are the key properties of (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one?
(4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 293.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(N-hydroxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 2861782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).