(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C25H20N4O2 — CID 44569670

IUPAC(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(O)cc1
InChIInChI=1S/C25H20N4O2/c30-23-13-11-21(12-14-23)24(25(31)28-26-16-19-7-3-1-4-8-19)15-20-17-27-29(18-20)22-9-5-2-6-10-22/h1-18,30H,(H,28,31)/b24-15+,26-16+
InChIKeyGNPNDTBHQUBMFL-XZVFWACVSA-N
MW408.46 g/mol
LogP4.27
Rot. Bonds6

About (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 44569670) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID44569670
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(O)cc1
InChIInChI=1S/C25H20N4O2/c30-23-13-11-21(12-14-23)24(25(31)28-26-16-19-7-3-1-4-8-19)15-20-17-27-29(18-20)22-9-5-2-6-10-22/h1-18,30H,(H,28,31)/b24-15+,26-16+
InChIKeyGNPNDTBHQUBMFL-XZVFWACVSA-N
XLogP4.27
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951785
5-tert-Butyl-2-phenyl-2H-pyrazole-3-carboxylic acid (4-hydroxy-benzylidene)-hydrazide
CID 135498037
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155555031
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194
N-(2-hydroxy-5-phenylphenyl)-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 59627351
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 59627354
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57392482
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127050793
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127051687
3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(E)-(4-hydroxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135554347
N'-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-hydroxy-2-phenylacetohydrazide
CID 9567166
5-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 16743287

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 44569670) is (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is O=C(N/N=C/c1ccccc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(O)cc1.
What is the InChIKey of (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is GNPNDTBHQUBMFL-XZVFWACVSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-23-13-11-21(12-14-23)24(25(31)28-26-16-19-7-3-1-4-8-19)15-20-17-27-29(18-20)22-9-5-2-6-10-22/h1-18,30H,(H,28,31)/b24-15+,26-16+.
What are the key properties of (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 408.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 44569670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).