Ethyl 5-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate - CAS 938009-04-2
Catalog: |
BB047737 |
Product Name: |
Ethyl 5-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate |
CAS: |
938009-04-2 |
Synonyms: |
ethyl 5-(4-ethylphenyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine-2-carboxylate |
IUPAC Name: | ethyl 5-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate |
Description: | Ethyl 5-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CAS# 938009-04-2 ) is a useful research chemical. |
Molecular Weight: | 363.33 |
Molecular Formula: | C18H16F3N3O2 |
Canonical SMILES: | CCC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)OCC |
InChI: | InChI=1S/C18H16F3N3O2/c1-3-11-5-7-12(8-6-11)13-9-15(18(19,20)21)24-16(22-13)10-14(23-24)17(25)26-4-2/h5-10H,3-4H2,1-2H3 |
InChI Key: | XXGZIWLGUJJNCI-UHFFFAOYSA-N |
Density: | 1.33±0.1 g/cm3 |
Complexity: | 495 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 363.11946125 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 363.11946125 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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