3-(3-Ethoxyphenyl)-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
303107-66-6- Standard SMILES
CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3cccs3)[nH]n2)c1- InChIKey
KJSHGMAZKFHQKS-XDHOZWIPSA-N- Molecular formula
- C18H18N4O2S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.115047
Names & identifiers
- Preferred name
- 3-(3-Ethoxyphenyl)-N'-(1-(2-thienyl)ethylidene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-(3-ethoxyphenyl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-5-carboxamide
- English name
- 5-(3-ethoxyphenyl)-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
- Molecular formula
- C18H18N4O2S
- Molecular weight
- 354.43
Names & synonyms
303107-66-63-(3-ETHOXYPHENYL)-N'-(1-(2-THIENYL)ETHYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDERefChem:491967652-652-63-(3-Ethoxyphenyl)-N'-(1-(thiophen-2-yl)ethylidene)-1H-pyrazole-5-carbohydrazideAKOS024424232SR-01000109080SR-01000109080-15-(3-ethoxyphenyl)-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
Database identifiers
- CAS
303107-66-6- PubChem CID
- 9608731
- EC Number
- 652-652-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Density
- 1.302 · 1.302±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.011 · 10.011±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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