5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide

C24H23ClN4O3 — CID 137270929

IUPAC5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CC(c2cccc(OCc3ccccc3Cl)c2)NN1
InChIInChI=1S/C24H23ClN4O3/c25-20-10-3-1-7-18(20)15-32-19-9-5-8-16(12-19)21-13-22(28-27-21)24(31)29-26-14-17-6-2-4-11-23(17)30/h1-12,14,21-22,27-28,30H,13,15H2,(H,29,31)/b26-14+
InChIKeyWMATXONAGMNGAD-VULFUBBASA-N
MW450.93 g/mol
LogP3.68
Rot. Bonds7

About 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide

5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide (PubChem CID 137270929) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
PubChem CID137270929
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CC(c2cccc(OCc3ccccc3Cl)c2)NN1
InChIInChI=1S/C24H23ClN4O3/c25-20-10-3-1-7-18(20)15-32-19-9-5-8-16(12-19)21-13-22(28-27-21)24(31)29-26-14-17-6-2-4-11-23(17)30/h1-12,14,21-22,27-28,30H,13,15H2,(H,29,31)/b26-14+
InChIKeyWMATXONAGMNGAD-VULFUBBASA-N
XLogP3.68
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[4-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137272179
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[2-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137265671
5-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137265109
5-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137270085
N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 137257958
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137271636
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(4-phenylmethoxyphenyl)pyrazolidine-3-carboxamide
CID 137270532
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 137263386
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 137270542
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide (CID 137270929) is 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide is O=C(N/N=C/c1ccccc1O)C1CC(c2cccc(OCc3ccccc3Cl)c2)NN1.
What is the InChIKey of 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is WMATXONAGMNGAD-VULFUBBASA-N. The full InChI is InChI=1S/C24H23ClN4O3/c25-20-10-3-1-7-18(20)15-32-19-9-5-8-16(12-19)21-13-22(28-27-21)24(31)29-26-14-17-6-2-4-11-23(17)30/h1-12,14,21-22,27-28,30H,13,15H2,(H,29,31)/b26-14+.
What are the key properties of 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide?
5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 137270929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).