7-(Thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Basic information
- CAS
676247-93-1- Standard SMILES
O=C(O)c1cnn2c(-c3cccs3)ccnc12- InChIKey
OURWKHLDAVYMGO-UHFFFAOYSA-N- Molecular formula
- C11H7N3O2S
- Average molar mass
- 245.26 g/mol
- Monoisotopic mass
- 245.02589765
Names & identifiers
- Preferred name
- 7-(Thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- IUPAC
- 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- English name
- 7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE)
- Molecular formula
- C11H7N3O2S
- Molecular weight
- 245.26
Names & synonyms
7-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid7-(thiophen-2-yl)pyrazolo(1,5-a)pyrimidine-3-carboxylic acidRefChem:545282857-744-1676247-93-17-Thiophen-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid7-thien-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acidMFCD040499897-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acidpyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 7-(2-thienyl)-7-(2-thienyl)-8-hydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Show more names
BAS 135240607-(2-thienyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE)
Oprea1_821336DTXSID70406419ALBB-009903SBB009468STK349524AKOS000302226AS-70183ST058342
Database identifiers
- CAS
676247-93-1- PubChem CID
- 4773601
- DTXSID
DTXSID70406419- EC Number
- 857-744-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 270 · 270-271 °C(Solv: methanol (67-56-1))
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- -1.87 · -1.87±0.41(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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