N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide

C20H20N4O2 — CID 6890491

IUPACN-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1O
InChIInChI=1S/C20H20N4O2/c1-14-18(12-21-22-20(26)17-10-6-7-11-19(17)25)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-12,25H,13H2,1-2H3,(H,22,26)/b21-12+
InChIKeyWEUHPHFRRFPPON-CIAFOILYSA-N
MW348.41 g/mol
LogP3.02
Rot. Bonds5

About N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 6890491) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID6890491
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1O
InChIInChI=1S/C20H20N4O2/c1-14-18(12-21-22-20(26)17-10-6-7-11-19(17)25)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-12,25H,13H2,1-2H3,(H,22,26)/b21-12+
InChIKeyWEUHPHFRRFPPON-CIAFOILYSA-N
XLogP3.02
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 6175261
N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzamide
CID 900681
1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951785
1-benzyl-3-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951786
5-chloro-N'-(2-hydroxybenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 8180364
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
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]propanehydrazide
CID 135517054
1-[(4-tert-butylphenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135936990
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3,5-dihydroxybenzohydrazide
CID 17126791
2-hydroxy-N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6901812

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide (CID 6890491) is N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide is Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1ccccc1O.
What is the InChIKey of N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is WEUHPHFRRFPPON-CIAFOILYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-18(12-21-22-20(26)17-10-6-7-11-19(17)25)15(2)24(23-14)13-16-8-4-3-5-9-16/h3-12,25H,13H2,1-2H3,(H,22,26)/b21-12+.
What are the key properties of N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 348.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 6890491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).