Ethyl 2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate - CAS 1245807-16-2
Catalog: |
BB053371 |
Product Name: |
Ethyl 2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate |
CAS: |
1245807-16-2 |
Synonyms: |
ethyl2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate |
IUPAC Name: | ethyl 2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate |
Molecular Weight: | 335.28 |
Molecular Formula: | C16H12F3N3O2 |
Canonical SMILES: | CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=CC=C3)N=C1)C(F)(F)F |
InChI: | InChI=1S/C16H12F3N3O2/c1-2-24-15(23)11-9-20-13-8-12(10-6-4-3-5-7-10)21-22(13)14(11)16(17,18)19/h3-9H,2H2,1H3 |
InChI Key: | OPKYIRNZRKWCBJ-UHFFFAOYSA-N |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 454 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.08816112 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.08816112 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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