(E)-3-(4-ethoxyphenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
307320-87-2- Standard SMILES
CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1- InChIKey
NJQMCOWAICXTKG-UDWIEESQSA-N- Molecular formula
- C18H17N5O2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.1382248
Names & identifiers
- Preferred name
- (E)-3-(4-ethoxyphenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
- English name
- 3-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
- Molecular formula
- C18H17N5O2
- Molecular weight
- 335.36
Names & synonyms
307320-87-2(E)-3-(4-ethoxyphenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazideSTL024788AKOS002170090ST022243F1092-09503-(4-ethoxyphenyl)-N'-[(E)-3-pyridinylmethylidene]-1H-pyrazole-5-carbohydrazide3-(4-ethoxyphenyl)-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazideN-((1E)-2-(3-pyridyl)-1-azavinyl)[3-(4-ethoxyphenyl)pyrazol-5-yl]carboxamide5-(4-ETHOXY-PH)-2H-PYRAZOLE-3-CARBOXYLIC ACID PYRIDIN-3-YLMETHYLENE-HYDRAZIDE3-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide1H-Pyrazole-3-carboxylic acid, 5-(4-ethoxyphenyl)-, 2-(3-pyridinylmethylene)hydrazide
Database identifiers
- CAS
307320-87-2- PubChem CID
- 5336801
- EC Number
- 162-711-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 9.67 · 9.67±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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