Methyl 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Basic information
- CAS
1005641-09-7- Standard SMILES
CCn1ncc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC)c3n2)c1C- InChIKey
OZHDOTQHYZNQNQ-UHFFFAOYSA-N- Molecular formula
- C15H14F3N5O2
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 353.10995919
Names & identifiers
- Preferred name
- Methyl 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
- IUPAC
- methyl 5-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Names & synonyms
methyl 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate1005641-09-7Methyl 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carboxylateRefChem:355896methyl 5-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylateDTXSID201112309HTS14784STL398934AKOS003758772CCG-327648AK-968/43543689
Database identifiers
- CAS
1005641-09-7- PubChem CID
- 4771571
- DTXSID
DTXSID201112309
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…