1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide

C24H20N4O2 — CID 135951785

IUPAC1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C24H20N4O2/c29-23-14-8-7-13-20(23)16-25-26-24(30)22-15-21(19-11-5-2-6-12-19)27-28(22)17-18-9-3-1-4-10-18/h1-16,29H,17H2,(H,26,30)/b25-16+
InChIKeyAQLWGBDGVJNVBC-PCLIKHOPSA-N
MW396.45 g/mol
LogP4.07
Rot. Bonds6

About 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide

1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide (PubChem CID 135951785) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
PubChem CID135951785
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C24H20N4O2/c29-23-14-8-7-13-20(23)16-25-26-24(30)22-15-21(19-11-5-2-6-12-19)27-28(22)17-18-9-3-1-4-10-18/h1-16,29H,17H2,(H,26,30)/b25-16+
InChIKeyAQLWGBDGVJNVBC-PCLIKHOPSA-N
XLogP4.07
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
CID 6890491
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135550918
1-benzyl-3-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951786
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 667178
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 1854674
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1872993
N'-(3-allyl-2-hydroxybenzylidene)-1-benzyl-3-nitro-1H-pyrazole-5-carbohydrazide
CID 135473444
3-tert-butyl-N'-[(E)-(2-hydroxyphenyl)methylidene]-1-phenyl-1H-pyrazole-5-carbohydrazide
CID 135497985
5-tert-Butyl-2-phenyl-2H-pyrazole-3-carboxylic acid (4-hydroxy-benzylidene)-hydrazide
CID 135498037
1-[(4-tert-butylphenyl)methyl]-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-chlorophenyl)pyrazole-5-carboxamide
CID 135896325
1-[(4-tert-butylphenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135936990
1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951776

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide (CID 135951785) is 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide is O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide?
The InChIKey is AQLWGBDGVJNVBC-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23-14-8-7-13-20(23)16-25-26-24(30)22-15-21(19-11-5-2-6-12-19)27-28(22)17-18-9-3-1-4-10-18/h1-16,29H,17H2,(H,26,30)/b25-16+.
What are the key properties of 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide?
1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 135951785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).