3-(4-Propoxyphenyl)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
403659-09-6- Standard SMILES
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1- InChIKey
NGBWYCYRFXXGEA-XDHOZWIPSA-N- Molecular formula
- C18H18N4O2S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.115047
Names & identifiers
- Preferred name
- 3-(4-Propoxyphenyl)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-(4-propoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
- English name
- 3-(4-propoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
- Molecular formula
- C18H18N4O2S
- Molecular weight
- 354.43
Names & synonyms
STL362752AKOS000561599ST021378(E)-3-(4-propoxyphenyl)-N'-(thiophen-2-ylmethylene)-1H-pyrazole-5-carbohydrazide3-(4-PROPOXYPHENYL)-N'-(2-THIENYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE3-(4-propoxyphenyl)-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazideN-((1E)-2-(2-thienyl)-1-azavinyl)[3-(4-propoxyphenyl)pyrazol-5-yl]carboxamide3-(4-propoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide1H-Pyrazole-3-carboxylic acid, 5-(4-propoxyphenyl)-, 2-(2-thienylmethylene)hydrazide
Database identifiers
- CAS
403659-09-6- PubChem CID
- 6865009
- EC Number
- 131-692-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Density
- 1.298 · 1.298±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.95 · 9.950±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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