5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
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Basic information
- CAS
436088-42-5- Standard SMILES
CC1CC(C(F)(F)F)n2ncc(C(=O)O)c2N1- InChIKey
RGGRSXDCXFADGM-UHFFFAOYSA-N- Molecular formula
- C9H10F3N3O2
- Average molar mass
- 249.19 g/mol
- Monoisotopic mass
- 249.07251106
Names & identifiers
- Preferred name
- 5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- IUPAC
- 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- English name
- 5-METHYL-7-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C9H10F3N3O2
- Molecular weight
- 249.19
Names & synonyms
436088-42-55-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid5-Methyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acidMFCD030436535-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid5-methyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5- a ]pyrimidine-3-carboxylic acidpyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-7-(trifluoromethyl)-BAS 031838775-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroine-3 -carboxylic acid5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acidMLS000100238CHEMBL1488621
Show more names
TIMTEC-BB SBB0119155-Methyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxy5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE)
DTXSID90420874HMS1695H20HMS2291F21ALBB-009894SBB011915AKOS000300128AKOS016344108Pyrazolo[1,5-a]pyrimidine-3-carboxylicacid, 4,5,6,7-tetrahydro-5-methyl-7-(trifluoromethyl)-
Database identifiers
- CAS
436088-42-5- PubChem CID
- 2980262
- DTXSID
DTXSID90420874- ChEMBL
CHEMBL1488621
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- 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.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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