1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid
Basic information
- CAS
618382-80-2- Standard SMILES
O=C(O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1- InChIKey
MSFMKNFGWZDNOE-UHFFFAOYSA-N- Molecular formula
- C14H9FN2O2S
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.03687687
Names & identifiers
- Preferred name
- 1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid
- English name
- 2-(4-Fluoro-phenyl)-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid
- Molecular formula
- C14H9FN2O2S
- Molecular weight
- 288.3
Names & synonyms
618382-80-21-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid2-(4-FLUORO-PHENYL)-5-THIOPHEN-2-YL-2H-PYRAZOLE-3-CARBOXYLIC ACID2-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylic acidMFCD039634521-(4-Fluorophenyl)-3-thien-2-yl-1H-pyrazole-5-carboxylic acidHMS2675H23MLS001002220CHEMBL1309084DTXSID10355654AKOS001051926SMR000368738
Show more names
2-(4-Fluoro-phenyl)-5-thiophen-2-yl-2H-pyrazole-3-1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID1H-Pyrazole-5-carboxylic acid, 1-(4-fluorophenyl)-3-(2-thienyl)-JR-7102, 1-(4-Fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid, 97%
CS-0363544ST51232803G85070F023828Z568802241-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxylic acid2-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylicacid
Database identifiers
- CAS
618382-80-2- PubChem CID
- 812092
- DTXSID
DTXSID10355654- ChEMBL
CHEMBL1309084
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Symbol(GHS)
- 8 · GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 304 · H304-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
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
- Danger
- Symbol(GHS)
- GHS08,GHS02
- Hazard statements
- H304-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
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Compound notes
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