5-Methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Basic information
- CAS
712319-11-4- Standard SMILES
CC1CC(C(F)(F)C(F)(F)F)n2nc(C(=O)O)cc2N1- InChIKey
PLAYSRYCRLUCFT-UHFFFAOYSA-N- Molecular formula
- C10H10F5N3O2
- Average molar mass
- 299.2 g/mol
- Monoisotopic mass
- 299.06931738
Names & identifiers
- Preferred name
- 5-Methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- IUPAC
- 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
- English name
- 5-METHYL-7-PENTAFLUOROETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
- Molecular formula
- C10H10F5N3O2
- Molecular weight
- 299.2
Names & synonyms
712319-11-45-methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-Methyl-7-(perfluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid5-Methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acidMLS000065222MFCD04967187SMR0000788225-METHYL-7-(1,1,2,2,2-PENTAFLUOROETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazape rhydroine-2-carboxylic acidpyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-7-(pentafluoroethyl)-C10H10F5N3O2
Show more names
AKOS B015916ART-CHEM-BB B015916pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5,6,7-tetra5-methyl-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxyli5-METHYL-7-PENTAFLUOROETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- 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_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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