4-Chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine - CAS 877402-79-4
Catalog: |
BB069218 |
Product Name: |
4-Chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine |
CAS: |
877402-79-4 |
Synonyms: |
4-CHLORO-2-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRAZINE |
IUPAC Name: | 4-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine |
Description: | 4-Chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine can be useful in the preparation of 8H-pyrazolo[5',1':3,4]pyrazino[2,1-b]quinazolinones. It may also be useful in the preparation of fused triazole derivatives as dipeptidyl peptidase-IV inhibitors. |
Molecular Weight: | 221.57 |
Molecular Formula: | C7H3ClF3N3 |
Canonical SMILES: | C1=CN2C(=CC(=N2)C(F)(F)F)C(=N1)Cl |
InChI: | InChI=1S/C7H3ClF3N3/c8-6-4-3-5(7(9,10)11)13-14(4)2-1-12-6/h1-3H |
InChI Key: | DOZBLJWPZNVVML-UHFFFAOYSA-N |
References: | Hrynyshyn, Y. V., et al. Chem. Heterocycl. Compd. (N. Y., NY, U. S.), 53, 1242 (2017); Weber, A. E., et al. PCT Int. Appl., 91 pp., WO 2006023750 (2006). |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.9967593 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.9967593 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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