N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

C13H14N4O4 — CID 135433195

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2=NNC(=O)C2C)ccc1O
InChIInChI=1S/C13H14N4O4/c1-7-11(15-17-12(7)19)13(20)16-14-6-8-3-4-9(18)10(5-8)21-2/h3-7,18H,1-2H3,(H,16,20)(H,17,19)/b14-6+
InChIKeyCAKHHBKJGKGAJZ-MKMNVTDBSA-N
MW290.28 g/mol
LogP-0.03
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 135433195) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID135433195
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2=NNC(=O)C2C)ccc1O
InChIInChI=1S/C13H14N4O4/c1-7-11(15-17-12(7)19)13(20)16-14-6-8-3-4-9(18)10(5-8)21-2/h3-7,18H,1-2H3,(H,16,20)(H,17,19)/b14-6+
InChIKeyCAKHHBKJGKGAJZ-MKMNVTDBSA-N
XLogP-0.03
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 5334780
5-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol
CID 135412161
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135650553
Ethyl 2-(3-hydroxy-4-methoxybenzylidene)hydrazine-1-carboxylate
CID 6861615
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]butanehydrazide
CID 135517042
(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-acetic acid [1-(4-hydroxy-3-methoxy-phenyl)-eth-(Z)-ylidene]-hydrazide
CID 135521456
4-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid (4-methoxy-benzylidene)-hydrazide
CID 6301199
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 6884269
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
CID 135438957

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 135433195) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is COc1cc(/C=N/NC(=O)C2=NNC(=O)C2C)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is CAKHHBKJGKGAJZ-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-7-11(15-17-12(7)19)13(20)16-14-6-8-3-4-9(18)10(5-8)21-2/h3-7,18H,1-2H3,(H,16,20)(H,17,19)/b14-6+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 135433195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).