N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide

C21H16N4O2 — CID 135519128

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C21H16N4O2/c26-20-8-4-3-7-17(20)13-22-25-21(27)19-12-18(23-24-19)16-10-9-14-5-1-2-6-15(14)11-16/h1-13,26H,(H,23,24)(H,25,27)/b22-13+
InChIKeyRONDYZNQBNBYIU-LPYMAVHISA-N
MW356.39 g/mol
LogP3.70
Rot. Bonds4

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 135519128) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
PubChem CID135519128
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C21H16N4O2/c26-20-8-4-3-7-17(20)13-22-25-21(27)19-12-18(23-24-19)16-10-9-14-5-1-2-6-15(14)11-16/h1-13,26H,(H,23,24)(H,25,27)/b22-13+
InChIKeyRONDYZNQBNBYIU-LPYMAVHISA-N
XLogP3.70
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135515522
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344275
6-(3-aminopropyl)-4-(2-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443537
(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 135458722
1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951785
2-[(E)-({[3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]benzoic acid
CID 6865086
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
N'-((1E)-{2-hydroxy-5-[(E)-phenyldiazenyl]phenyl}methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135497974
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
1-[(4-tert-butylphenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135936990
N-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135400494
N'-[(2-hydroxy-1-naphthyl)methylene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 135411740

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide (CID 135519128) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is RONDYZNQBNBYIU-LPYMAVHISA-N. The full InChI is InChI=1S/C21H16N4O2/c26-20-8-4-3-7-17(20)13-22-25-21(27)19-12-18(23-24-19)16-10-9-14-5-1-2-6-15(14)11-16/h1-13,26H,(H,23,24)(H,25,27)/b22-13+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135519128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).