5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide

C20H24N4O4 — CID 137263358

IUPAC5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)N/N=C/c3ccc(O)c(OC)c3)NN2)cc1
InChIInChI=1S/C20H24N4O4/c1-3-28-15-7-5-14(6-8-15)16-11-17(23-22-16)20(26)24-21-12-13-4-9-18(25)19(10-13)27-2/h4-10,12,16-17,22-23,25H,3,11H2,1-2H3,(H,24,26)/b21-12+
InChIKeyZGXNHFULMGBTED-CIAFOILYSA-N
MW384.44 g/mol
LogP1.86
Rot. Bonds7

About 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide

5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide (PubChem CID 137263358) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
PubChem CID137263358
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)N/N=C/c3ccc(O)c(OC)c3)NN2)cc1
InChIInChI=1S/C20H24N4O4/c1-3-28-15-7-5-14(6-8-15)16-11-17(23-22-16)20(26)24-21-12-13-4-9-18(25)19(10-13)27-2/h4-10,12,16-17,22-23,25H,3,11H2,1-2H3,(H,24,26)/b21-12+
InChIKeyZGXNHFULMGBTED-CIAFOILYSA-N
XLogP1.86
TPSA104.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

5-(2,4-dichlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270540
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 52963464
5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
N-[(E)-(4-tert-butylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide
CID 45046620
(2S)-2-(4-ethoxyanilino)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136705964
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 137270542
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 137263386

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide (CID 137263358) is 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)N/N=C/c3ccc(O)c(OC)c3)NN2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is ZGXNHFULMGBTED-CIAFOILYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-28-15-7-5-14(6-8-15)16-11-17(23-22-16)20(26)24-21-12-13-4-9-18(25)19(10-13)27-2/h4-10,12,16-17,22-23,25H,3,11H2,1-2H3,(H,24,26)/b21-12+.
What are the key properties of 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 137263358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).