ethyl 5-amino-1-(naphthalen-2-yl)-1H-pyrazole-4-carboxylate
Basic information
- CAS
304683-30-5- Standard SMILES
CCOC(=O)c1cnn(-c2ccc3ccccc3c2)c1N- InChIKey
HPIRZLWDYNSASN-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- ethyl 5-amino-1-(naphthalen-2-yl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate
- English name
- 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-naphthalenyl)-, ethyl ester
- Molecular formula
- C16H15N3O2
- Molecular weight
- 281.31
Names & synonyms
ethyl 5-amino-1-(naphthalen-2-yl)-1H-pyrazole-4-carboxylate304683-30-51955498-98-2ethyl 3-imino-2-(naphthalen-2-yl)-2,3-dihydro-1H-pyrazole-4-carboxylateethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylateEMA68330AKOS001017311EN300-26813G20928SR-01000005416SR-01000005416-1Z55410359
Show more names
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2-naphthalenyl)-, ethyl ester
ethyl5-amino-1-(naphthalen-2-yl)-1H-pyrazole-4-carboxylate
Database identifiers
- CAS
304683-30-5- PubChem CID
- 722115
- EC Number
- 154-920-3
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 476.9 · 476.9±25.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 1.09 · 1.09±0.13(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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