N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide

C26H26N8O7 — CID 137225076

IUPACN-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Oc2cc(/C=N/NC(=O)c3cc(C)n[nH]3)cc(OC)c2O)c1O
InChIInChI=1S/C26H26N8O7/c1-13-5-17(31-29-13)25(37)33-27-11-15-7-19(39-3)23(35)21(9-15)41-22-10-16(8-20(40-4)24(22)36)12-28-34-26(38)18-6-14(2)30-32-18/h5-12,35-36H,1-4H3,(H,29,31)(H,30,32)(H,33,37)(H,34,38)/b27-11+,28-12+
InChIKeyIZCNHMDDMWYZDB-NXMZODBASA-N
MW562.54 g/mol
LogP2.50
Rot. Bonds10

About N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide

N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide (PubChem CID 137225076) has the molecular formula C26H26N8O7 and a molecular weight of 562.54 g/mol. Its IUPAC name is N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide
PubChem CID137225076
Molecular FormulaC26H26N8O7
Molecular Weight562.54 g/mol
Exact Mass562.19
IUPAC NameN-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Oc2cc(/C=N/NC(=O)c3cc(C)n[nH]3)cc(OC)c2O)c1O
InChIInChI=1S/C26H26N8O7/c1-13-5-17(31-29-13)25(37)33-27-11-15-7-19(39-3)23(35)21(9-15)41-22-10-16(8-20(40-4)24(22)36)12-28-34-26(38)18-6-14(2)30-32-18/h5-12,35-36H,1-4H3,(H,29,31)(H,30,32)(H,33,37)(H,34,38)/b27-11+,28-12+
InChIKeyIZCNHMDDMWYZDB-NXMZODBASA-N
XLogP2.50
TPSA208.43 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500562.54
LogP ≤ 52.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135625974
ethane;N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 142259070
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135647068
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136890927
4-bromo-N-[(E)-(3,4-dihydroxy-5-methoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846615
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135777345
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 136874839
4-acetamido-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3909955

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide (CID 137225076) is N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide is COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Oc2cc(/C=N/NC(=O)c3cc(C)n[nH]3)cc(OC)c2O)c1O.
What is the InChIKey of N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is IZCNHMDDMWYZDB-NXMZODBASA-N. The full InChI is InChI=1S/C26H26N8O7/c1-13-5-17(31-29-13)25(37)33-27-11-15-7-19(39-3)23(35)21(9-15)41-22-10-16(8-20(40-4)24(22)36)12-28-34-26(38)18-6-14(2)30-32-18/h5-12,35-36H,1-4H3,(H,29,31)(H,30,32)(H,33,37)(H,34,38)/b27-11+,28-12+.
What are the key properties of N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide?
N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 562.54 g/mol, XLogP of 2.50, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-[(3-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]-5-methoxyphenyl]methylideneamino]-3-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137225076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).