5-tert-Butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Basic information
- CAS
436088-41-4- Standard SMILES
CC(C)(C)C1CC(C(F)(F)F)n2nc(C(=O)O)cc2N1- InChIKey
YKJBBJYORBOEOO-UHFFFAOYSA-N- Molecular formula
- C12H16F3N3O2
- Average molar mass
- 291.27 g/mol
- Monoisotopic mass
- 291.11946125
Names & identifiers
- Preferred name
- 5-tert-Butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- IUPAC
- 5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- English name
- 5-tert-Butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- Molecular formula
- C12H16F3N3O2
- Molecular weight
- 291.27
Names & synonyms
436088-41-45-tert-Butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-(tert-Butyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-tert-butyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-tert-butyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acidTimTec1_008299DTXSID30420919HMS1557J05ALBB-036810HTS13417AKOS015838090
Show more names
5-tert-Butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-car5-Tert-butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazol[1,5-a]pyrimidine-2-carboxylic acidPyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)-
5-TERT-BUTYL-7-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLICACIDBAS 03183463DB-368844SR-01000370524SR-01000370524-15-tert-butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazol[1,5-a]pyrimidine-2-carboxylic acid 436088-
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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