Basic information
- CAS
302917-86-8- Standard SMILES
CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)cc1- InChIKey
OYGGOIVEDRQQKD-UHFFFAOYSA-N- Molecular formula
- C17H16BrN5OS
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.02589
Names & identifiers
- Preferred name
- 3(5-BR-2-Thienyl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 5-(5-bromothiophen-2-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
- English name
- 3-(5-bromothiophen-2-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C17H16BrN5OS
- Molecular weight
- 418.31
Names & synonyms
302917-86-83(5-BR-2-THIENYL)-N'-(4-(DIMETHYLAMINO)BENZYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDERefChem:484787652-011-05-(5-Bromothiophen-2-yl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-3-carbohydrazide3-(5-bromothiophen-2-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazideSTK103630AKOS000561659ST021343(E)-3-(5-bromothiophen-2-yl)-N'-(4-(dimethylamino)benzylidene)-1H-pyrazole-5-carbohydrazideN-{(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}[3-(5-bromo(2-thienyl))pyrazol- 5-yl]carboxamide1H-Pyrazole-3-carboxylic acid, 5-(5-bromo-2-thienyl)-, 2-[[4-(dimethylamino)phenyl]methylene]hydrazide
Database identifiers
- CAS
302917-86-8- PubChem CID
- 6867167
- EC Number
- 652-011-0
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H413-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H413-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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