(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one

C23H19N3O — CID 6081178

IUPAC(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O/c1-18-22(23(27)26(24-18)21-15-9-4-10-16-21)17-25(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3/b22-17-
InChIKeyBRBHXHFFTHWLLM-XLNRJJMWSA-N
MW353.43 g/mol
LogP5.13
Rot. Bonds4

About (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one

(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one (PubChem CID 6081178) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one
PubChem CID6081178
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O/c1-18-22(23(27)26(24-18)21-15-9-4-10-16-21)17-25(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3/b22-17-
InChIKeyBRBHXHFFTHWLLM-XLNRJJMWSA-N
XLogP5.13
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.13
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
(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 6383687
(4Z)-4-[[benzyl(hydroxy)amino]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 2860693
(4E)-4-[(4-fluorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6537766
(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
CID 6339121
(4E)-5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]pyrazol-3-one
CID 94844047
4-[(2-bromophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 132897067
5-methyl-4-[[4-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]phenyl]anilino]methylidene]-2-phenylpyrazol-3-one
CID 6833105
(4E)-4-[(4-ethylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 692965
azane;5-methyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
CID 70272256
4-[(1-ethylpyrazol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 4774616
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 (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one?
The IUPAC name of (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one (CID 6081178) is (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one.
What is the SMILES notation for (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one?
The canonical SMILES for (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\N(c1ccccc1)c1ccccc1.
What is the InChIKey of (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one?
The InChIKey is BRBHXHFFTHWLLM-XLNRJJMWSA-N. The full InChI is InChI=1S/C23H19N3O/c1-18-22(23(27)26(24-18)21-15-9-4-10-16-21)17-25(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-17H,1H3/b22-17-.
What are the key properties of (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one?
(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one has a molecular weight of 353.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one is sourced from PubChem (CID 6081178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).