methyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate
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Basic information
- CAS
318238-06-1- Standard SMILES
COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1- InChIKey
GJDZDAKNWSTVBE-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.0665554
Names & identifiers
- Preferred name
- methyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 5-(4-chlorophenyl)-1-phenylpyrazole-3-carboxylate
- English name
- METHYL 5-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLATE
- Molecular formula
- C17H13ClN2O2
- Molecular weight
- 312.75
Names & synonyms
methyl 5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate318238-06-1methyl 5-(4-chlorophenyl)-1-phenylpyrazole-3-carboxylateKS-00001VO7Methyl 5-(4-chlorophenyl)-1-phenyl-pyrazole-3-carboxylateMFCD01315848AKOS0050888393N-609Smethyl5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1-phenyl-, methyl ester
Database identifiers
- CAS
318238-06-1- PubChem CID
- 3740507
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 476 · 476.0±35.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- -3.4 · -3.40±0.10(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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