ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
Basic information
- CAS
229015-76-3- Standard SMILES
CCOC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1- InChIKey
SDGZPPOLTPVBLP-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
- English name
- 3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
229015-76-3Ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylateRefChem:594688860-417-6ethyl 5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate1316754-26-3ethyl 5-(4-methoxyphenyl)-2H-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-, ethyl esterMFCD041703691H-Pyrazole-3-carboxylicacid, 5-(4-methoxyphenyl)-, ethyl ester1879103-19-1ethyl 3-(4-methoxyphenyl)pyrazole-5-carboxylate
Show more names
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid ethyl ester
MFCD05734689938182-54-8MLS000333132SCHEMBL2888912CHEMBL1489428HMS2791D145-(4-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid ethyl esterALBB-038829
Database identifiers
- CAS
229015-76-3- PubChem CID
- 589142
- ChEMBL
CHEMBL1489428- EC Number
- 860-417-6
- Nikkaji
- J2.453.195C、J2.556.796J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
Solubility6.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 130 · 130-132 °C
- Boiling point
- 458.3 · 458.3±40.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 10 · 10+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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, 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
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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