Basic information
- CAS
1285532-46-8- Standard SMILES
Cn1cccc1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)n[nH]1- InChIKey
TVXPMDJEPUKEGC-CIAFOILYSA-N- Molecular formula
- C20H17N5O2
- Average molar mass
- 359.4 g/mol
Names & identifiers
- Preferred name
- N'-[(E)-(2-hydroxy-1-naphthyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
- English name
- N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C20H17N5O2
- Molecular weight
- 359.38
Names & synonyms
STK101897AKOS000558371ST022418(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazideN'-[(E)-(2-hydroxy-1-naphthyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazideN-[(1E)-2-(2-hydroxynaphthyl)-1-azavinyl][3-(1-methylpyrrol-2-yl)pyrazol-5-yl] carboxamideN'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-, (2E)-2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
Database identifiers
- CAS
1285532-46-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 7.61 · 7.61±0.50(Predicted)
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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