3-methyl-N'-[(E)-(4-nitrophenyl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide
Basic information
- CAS
330978-83-1- Standard SMILES
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc12- InChIKey
JSARIXDJRYHYFH-CIAFOILYSA-N- Molecular formula
- C20H15N5O3S
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.08956053
Names & identifiers
- Preferred name
- 3-methyl-N'-[(E)-(4-nitrophenyl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide
- IUPAC
- 3-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
- English name
- 3-Me-N'-(4-nitrobenzylidene)-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carbohydrazide
- Molecular formula
- C20H15N5O3S
- Molecular weight
- 405.43
Names & synonyms
STK750388AKOS0006699243-ME-N'-(4-NITROBENZYLIDENE)-1-PHENYL-1H-THIENO(2,3-C)PYRAZOLE-5-CARBOHYDRAZIDE3-methyl-N'-[(E)-(4-nitrophenyl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide1H-Thieno[2,3-c]pyrazole-5-carboxylic acid, 3-methyl-1-phenyl-, 2-[(4-nitrophenyl)methylene]hydrazide
Database identifiers
- CAS
330978-83-1- PubChem CID
- 9564040
- EC Number
- 134-261-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Density
- 1.44 · 1.440±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.906 · 10.906±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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