7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Basic information
- CAS
957509-33-0- Standard SMILES
CCn1ncc(-c2ccnc3cc(C(=O)O)nn23)c1C- InChIKey
RLWZHDCIBUFLMD-UHFFFAOYSA-N- Molecular formula
- C13H13N5O2
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.10692467
Names & identifiers
- Preferred name
- 7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- IUPAC
- 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- English name
- 7-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-PYRAZOLO-[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
- Molecular formula
- C13H13N5O2
- Molecular weight
- 271.27
Names & synonyms
7-(1-ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid957509-33-07-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acidRefChem:310058974-970-77-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acidMFCD049692847-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-pyrazolo-[1,5-a]pyrimidine-2-carboxylic acidMLS000716923SMR000278440pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7-(1-ethyl-5-methyl-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Show more names
SBB012153BAS 13527207AKOS B018840ART-CHEM-BB B018840TIMTEC-BB SBB012153pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-(1-ethyl-5-7-(1-ethyl-5-methyl-4-pyrazolyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
7-(1-ethyl-5-methylpyrazol-4-yl)-8-hydropyrazolo[1,5-a]pyrimidine-2-carboxylic acidCHEMBL1586803BDBM80492cid_4776201DTXSID101136417HMS1703O01HMS2646I18ALBB-009922
Database identifiers
- CAS
957509-33-0- PubChem CID
- 4776201
- DTXSID
DTXSID101136417- ChEMBL
CHEMBL1586803- EC Number
- 974-970-7
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Solubility>40.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- 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
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
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Compound notes
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