Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
Basic information
- CAS
618070-52-3- Standard SMILES
CCOC(=O)c1cc(-c2ccccc2)nn1Cc1ccccc1- InChIKey
NALCDGDGLJAMQW-UHFFFAOYSA-N- Molecular formula
- C19H18N2O2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.13682782
Names & identifiers
- Preferred name
- Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 1-benzyl-3-phenylpyrazole-5-carboxylate
- English name
- Ethyl 1-benzyl-3-phenyl-1H-pyrazole-5-carboxylate
- Molecular formula
- C19H18N2O2
- Molecular weight
- 306.36
Names & synonyms
ethyl 1-benzyl-3-phenyl-1h-pyrazole-5-carboxylate618070-52-3DTXSID101198407Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylateRefChem:595074DTXCID701629620632-070-9CHEMBL1514232HMS1824M06TZA07052AKOS001786185NCGC00108381-01
Show more names
SALOR-INT L201405-1EAethyl 2-benzyl-5-phenylpyrazole-3-carboxylate1H-Pyrazole-5-carboxylic acid, 3-phenyl-1-(phenylmethyl)-, ethyl ester
C429-1119
Database identifiers
- CAS
618070-52-3- PubChem CID
- 3403603
- DTXSID
DTXSID101198407- ChEMBL
CHEMBL1514232- EC Number
- 632-070-9
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · 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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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