Basic information
- CAS
402482-15-9- Standard SMILES
Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)[nH]n2)cc1- InChIKey
IHYRMSALQLHLKE-UHFFFAOYSA-N- Molecular formula
- C18H14ClN5O3
- Average molar mass
- 383.8 g/mol
- Monoisotopic mass
- 383.078517
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)-1H-pyrazole-3-carboxylic acid 2-[(4-chloro-3-nitrophenyl)methylene]hydrazide
- IUPAC
- N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
- English name
- N'-(4-Chloro-3-nitrobenzylidene)-3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C18H14ClN5O3
- Molecular weight
- 383.79
Names & synonyms
DTXSID601117018402482-15-95-(4-Methylphenyl)-1H-pyrazole-3-carboxylic acid 2-[(4-chloro-3-nitrophenyl)methylene]hydrazideN'-[(4-Chloro-3-nitrophenyl)methylidene]-5-(4-methylphenyl)-1H-pyrazole-3-carbohydrazideN'-(4-Chloro-3-nitrobenzylidene)-3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazideN'-(4-Chloro-3-nitrobenzylidene)-3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(4-methylphenyl)-, 2-[(4-chloro-3-nitrophenyl)methylene]hydrazide
Database identifiers
- CAS
402482-15-9- PubChem CID
- 3976569
- DTXSID
DTXSID601117018
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Density
- 1.439 · 1.439±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.763 · 10.763±0.46(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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