N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

C21H20N4O2 — CID 137257958

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H20N4O2/c26-20-11-4-2-7-15(20)13-22-25-21(27)19-12-18(23-24-19)17-10-5-8-14-6-1-3-9-16(14)17/h1-11,13,18-19,23-24,26H,12H2,(H,25,27)/b22-13+
InChIKeyVXXQEHZWFXYVBP-LPYMAVHISA-N
MW360.42 g/mol
LogP2.60
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (PubChem CID 137257958) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
PubChem CID137257958
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)C1CC(c2cccc3ccccc23)NN1
InChIInChI=1S/C21H20N4O2/c26-20-11-4-2-7-15(20)13-22-25-21(27)19-12-18(23-24-19)17-10-5-8-14-6-1-3-9-16(14)17/h1-11,13,18-19,23-24,26H,12H2,(H,25,27)/b22-13+
InChIKeyVXXQEHZWFXYVBP-LPYMAVHISA-N
XLogP2.60
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-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

5-(3-ethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270504
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 137263386
methyl 5-naphthalen-1-ylpyrazolidine-3-carboxylate
CID 78292345
5-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazolidine-3-carboxamide
CID 137270929
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[2-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137265671
N-(1,3-benzodioxol-5-yl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605728
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
N-[(4-ethylphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605901
5-(2-butoxyphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 137263748
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-(4-fluoro-3-methylphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605776

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide (CID 137257958) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is O=C(N/N=C/c1ccccc1O)C1CC(c2cccc3ccccc23)NN1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
The InChIKey is VXXQEHZWFXYVBP-LPYMAVHISA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20-11-4-2-7-15(20)13-22-25-21(27)19-12-18(23-24-19)17-10-5-8-14-6-1-3-9-16(14)17/h1-11,13,18-19,23-24,26H,12H2,(H,25,27)/b22-13+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-naphthalen-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 137257958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).