5-(Thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 294651-53-9
Catalog: |
BB044879 |
Product Name: |
5-(Thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
294651-53-9 |
Synonyms: |
5-thien-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid; 5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid; Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-(2-thienyl)-7-(trifluoromethyl)- |
IUPAC Name: | 5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 5-(Thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 294651-53-9 ) is a useful research chemical. |
Molecular Weight: | 313.26 |
Molecular Formula: | C12H6F3N3O2S |
Canonical SMILES: | C1=CSC(=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C12H6F3N3O2S/c13-12(14,15)9-4-6(8-2-1-3-21-8)16-10-5-7(11(19)20)17-18(9)10/h1-5H,(H,19,20) |
InChI Key: | CVWQXSRDDMGZQX-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.0132821 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.0132821 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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