1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
Basic information
- CAS
849416-70-2- Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1C- InChIKey
ZDSXCFSUGVAQSB-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylate
- English name
- Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
- Molecular formula
- C15H18N2O3
- Molecular weight
- 274.32
Names & synonyms
1-(4-METHOXYPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTERRefChem:425760Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate849416-70-2ethyl 1-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxylateMFCD08443956Ethyl 1-(4-methoxyphenyl)-3,5-dimethyl-pyrazole-4-carboxylateethyl 1-(4-methoxyphenyl)-3,5-dimethyl-1H- pyrazole-4-carboxylateEthyl 3,5-dimethyl-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate1y2dZ9UH9VQ8ZKPyrazole carboxylic ester 17
Show more names
1H-Pyrazole-4-carboxylic acid, 1-(4-methoxyphenyl)-3,5-dimethyl-, ethyl ester
4DESCHEMBL4312926CHEMBL1230268BDBM14794DTXSID50349673HMS3604M09AKOS005071941BA-0846
Database identifiers
- CAS
849416-70-2- PubChem CID
- 656965
- DTXSID
DTXSID50349673- ChEMBL
CHEMBL1230268- UNII
- Z9UH9VQ8ZK
- Nikkaji
- J2.142.350E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 50 · 50-52°C
- Boiling point
- 380.8 · 380.8±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -0.56 · -0.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- 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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