ethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate
Basic information
- CAS
107748-84-5- Standard SMILES
CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N- InChIKey
CTENAVZLUIFZJC-UHFFFAOYSA-N- Molecular formula
- C12H11F3N4O2
- Average molar mass
- 300.24 g/mol
- Monoisotopic mass
- 300.08341009
Names & identifiers
- Preferred name
- ethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
- English name
- Ethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate
- Molecular formula
- C12H11F3N4O2
- Molecular weight
- 300.24
Names & synonyms
107748-84-5ethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate1955561-50-8ethyl 3-imino-2-[5-(trifluoromethyl)pyridin-2-yl]-2,3-dihydro-1H-pyrazole-4-carboxylateethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid,5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]-, ethyl esterEthyl 3-imino-2-(5-(trifluoromethyl)pyridin-2-yl)-2,3-dihydro-1H-pyrazole-4-carboxylateSMR000152780MLS000565658CHEMBL1313911SCHEMBL10689243HMS1755M16
Show more names
BUTTPARK 41\07-21IFLAB-BB F0307-0187
HMS2429I21MFCD01911397AKOS000260521ST50051667EN300-26777G31486AB00457605-03SR-01000005408
Database identifiers
- CAS
107748-84-5- PubChem CID
- 722162
- ChEMBL
CHEMBL1313911- EC Number
- 154-867-6
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 404.956 · 404.956±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.481 · 1.481±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.011 · 1.011±0.70(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
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%)
Related reactions
2 records
Compound notes
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