1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
956779-12-7- Standard SMILES
Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)cc1- InChIKey
SLCBEWVMMQNFTN-UHFFFAOYSA-N- Molecular formula
- C17H13FN2O2
- Average molar mass
- 296.29 g/mol
- Monoisotopic mass
- 296.09610582
Names & identifiers
- Preferred name
- 1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylic acid
- English name
- 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-3-(4-methylphenyl)-
- Molecular formula
- C17H13FN2O2
- Molecular weight
- 296.3
Names & synonyms
1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid956779-12-71-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylic AcidSCHEMBL16974093GNB77912MFCD06357437AKOS001083253CCG-304960CS-0221999EN300-10102G19740Z56347163
Show more names
1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-3-(4-methylphenyl)-
1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylic acid1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
956779-12-7- PubChem CID
- 3300960
- EC Number
- 193-619-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 454.4 · 454.4±40.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.36(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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…