1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid
Basic information
- CAS
871825-56-8- Standard SMILES
Cn1nc(-c2cccs2)cc1C(=O)O- InChIKey
YSTOGMCNCZGBTG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- 1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-methyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
- English name
- 1-Methyl-3-thien-2-yl-1H-pyrazole-5-carboxylic acid
- Molecular formula
- C9H8N2O2S
- Molecular weight
- 208.24
Names & synonyms
871825-56-81-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid1-Methyl-3-thien-2-yl-1H-pyrazole-5-carboxylic acidMFCD082719542-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid2-Methyl-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid1-methyl-3-(2-thienyl)pyrazole-5-carboxylic acid2-methyl-5-(2-thienyl)pyrazole-3-carboxylic acid1-methyl-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid1-methyl-3-(2-thienyl)-1{H}-pyrazole-5-carboxylic acidDTXSID10602559SBB079504
Show more names
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-(2-thienyl)-1-Methyl-3-(thien-2-yl)-1H-pyrazole-5-carboxylicacid97%1-Methyl-3-thien-2-yl-1H-pyrazole-5-carboxylic acid 97%1-methyl-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)5-Carboxy-1-methyl-3-(thien-2-yl)-1H-pyrazole, 2-(5-Carboxy-1-methyl-1H-pyrazol-3-yl)thiophene
STK392522AKOS000302363FS-2305DB-076869ST50532345EN300-238036F042108BRD-K54697736-001-01-2
Database identifiers
- CAS
871825-56-8- PubChem CID
- 20109897
- DTXSID
DTXSID10602559
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 173 °C · 173 °C
- Boiling point
- 423.3 · 423.3±35.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 2.92 · 2.92±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
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
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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