N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide

C24H24N4O3 — CID 137270532

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C1CC(c2ccc(OCc3ccccc3)cc2)NN1
InChIInChI=1S/C24H24N4O3/c29-20-10-6-17(7-11-20)15-25-28-24(30)23-14-22(26-27-23)19-8-12-21(13-9-19)31-16-18-4-2-1-3-5-18/h1-13,15,22-23,26-27,29H,14,16H2,(H,28,30)/b25-15+
InChIKeyDEWZUNDBCJVSLU-MFKUBSTISA-N
MW416.48 g/mol
LogP3.03
Rot. Bonds7

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 137270532) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID137270532
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)C1CC(c2ccc(OCc3ccccc3)cc2)NN1
InChIInChI=1S/C24H24N4O3/c29-20-10-6-17(7-11-20)15-25-28-24(30)23-14-22(26-27-23)19-8-12-21(13-9-19)31-16-18-4-2-1-3-5-18/h1-13,15,22-23,26-27,29H,14,16H2,(H,28,30)/b25-15+
InChIKeyDEWZUNDBCJVSLU-MFKUBSTISA-N
XLogP3.03
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.03
H-Bond Donors ≤ 54
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'}

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Related Compounds

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyrazolidine-3-carboxamide
CID 137272186
5-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137263358
N-[(E)-(4-tert-butylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide
CID 45046620
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[4-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137272179
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4177056
5-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137265109
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide (CID 137270532) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1)C1CC(c2ccc(OCc3ccccc3)cc2)NN1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is DEWZUNDBCJVSLU-MFKUBSTISA-N. The full InChI is InChI=1S/C24H24N4O3/c29-20-10-6-17(7-11-20)15-25-28-24(30)23-14-22(26-27-23)19-8-12-21(13-9-19)31-16-18-4-2-1-3-5-18/h1-13,15,22-23,26-27,29H,14,16H2,(H,28,30)/b25-15+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 137270532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).