5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1188375-25-8- Standard SMILES
O=C(O)c1cc(-c2ccc(Cl)s2)[nH]n1- InChIKey
GYIXQBMJJZNZJW-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O2S
- Average molar mass
- 228.66 g/mol
- Monoisotopic mass
- 227.9760263
Names & identifiers
- Preferred name
- 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
- English name
- 5-(5-Chloro-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid
- Molecular formula
- C8H5ClN2O2S
- Molecular weight
- 228.66
Names & synonyms
1188375-25-85-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acidDTXSID201324354RefChem:530551DTXCID401753763844-543-95-(5-Chloro-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid3-(5-chlorothiophen-2-yl)-1H-pyrazole-5-carboxylic acid3-(5-Chloro-2-thienyl)-1H-pyrazole-5-carboxylic acid890621-34-85-(5-chloro-2-thienyl)-1H-Pyrazole-3-carboxylic acidF2130-0045
Show more names
AKOS B009095AKOS BBS-00005811IFLAB-BB F2130-0045ASINEX-REAG BAS 077503251H-Pyrazole-3-carboxylic acid, 5-(5-chloro-2-thienyl)-
3-(5-chloro-2-thienyl)pyrazole-5-carboxylic acidSCHEMBL72067MLS000716945CHEMBL18771035-(5-chloro-thiophen-2-yl)-1H-pyrazole-3-carboxylic acidGYIXQBMJJZNZJW-UHFFFAOYSA-NHMS2754J17SMSSF-0045447
Database identifiers
- CAS
1188375-25-8- PubChem CID
- 3156992
- DTXSID
DTXSID201324354- ChEMBL
CHEMBL1877103- EC Number
- 844-543-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Solubility17.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses3-(5-Chloro-2-thienyl)-1H-pyrazole-5-carboxylic acid is used as a reactant in the preparation of pyrazolylcarbonylaminobiphenylylhydroxypentanoic acid derivatives and analogs for use as neprilysin inhibitors.
Related reactions
2 records
Compound notes
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