2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide

C19H18N4O4 — CID 135544679

IUPAC2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccc(-n2[nH]c(C)c(/C=N/NC(=O)c3ccc(O)cc3O)c2=O)cc1
InChIInChI=1S/C19H18N4O4/c1-11-3-5-13(6-4-11)23-19(27)16(12(2)22-23)10-20-21-18(26)15-8-7-14(24)9-17(15)25/h3-10,22,24-25H,1-2H3,(H,21,26)/b20-10+
InChIKeyNDAGUIPZSGCCHT-KEBDBYFISA-N
MW366.38 g/mol
LogP1.96
Rot. Bonds4

About 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide

2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide (PubChem CID 135544679) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide
PubChem CID135544679
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide
SMILESCc1ccc(-n2[nH]c(C)c(/C=N/NC(=O)c3ccc(O)cc3O)c2=O)cc1
InChIInChI=1S/C19H18N4O4/c1-11-3-5-13(6-4-11)23-19(27)16(12(2)22-23)10-20-21-18(26)15-8-7-14(24)9-17(15)25/h3-10,22,24-25H,1-2H3,(H,21,26)/b20-10+
InChIKeyNDAGUIPZSGCCHT-KEBDBYFISA-N
XLogP1.96
TPSA119.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Gsk-9089
CID 5497124
N-(4-{[2-(2,4-dihydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 135418715
4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
3-(2,4-Dihydroxybenzoylhydrazono)-N-mesitylbutyramide
CID 9586579
N-(3-Bromo-phenyl)-3-[(2,4-dihydroxy-benzoyl)-hydrazono]-butyramide
CID 9592443
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 135478329
2-hydroxy-N'-[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propyl]benzohydrazide
CID 135514370
2,4-dihydroxy-N'-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]benzohydrazide
CID 135493348
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
2,4-Dihydroxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 5331619
N'-[4-(diethylamino)-2-hydroxybenzylidene]-2-hydroxybenzohydrazide
CID 135472454

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide (CID 135544679) is 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide is Cc1ccc(-n2[nH]c(C)c(/C=N/NC(=O)c3ccc(O)cc3O)c2=O)cc1.
What is the InChIKey of 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide?
The InChIKey is NDAGUIPZSGCCHT-KEBDBYFISA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11-3-5-13(6-4-11)23-19(27)16(12(2)22-23)10-20-21-18(26)15-8-7-14(24)9-17(15)25/h3-10,22,24-25H,1-2H3,(H,21,26)/b20-10+.
What are the key properties of 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide?
2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide has a molecular weight of 366.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(E)-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide is sourced from PubChem (CID 135544679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).