Basic information
- CAS
1781182-10-2- Standard SMILES
Cc1cc2nc(C(=O)O)ccn2n1- InChIKey
HFHSAVXLDRIOJW-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 2-Methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
- IUPAC
- 2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
Names & synonyms
2-Methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid1781182-10-2SCHEMBL17141136MFCD31729017SY5216342-Methylpyrazolo[1,5-a]pyrimidine-5-carboxylicacid
Database identifiers
- CAS
1781182-10-2- PubChem CID
- 105436734
- EC Number
- 139-964-3
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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