5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid - CAS 312635-16-8
Catalog: |
BB042623 |
Product Name: |
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
CAS: |
312635-16-8 |
Synonyms: |
5-Phenyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
IUPAC Name: | 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
Description: | 5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CAS# 312635-16-8 ) is a useful research chemical. |
Molecular Weight: | 307.23 |
Molecular Formula: | C14H8F3N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)19-12-9(13(21)22)7-18-20(11)12/h1-7H,(H,21,22) |
InChI Key: | ISTITOKMPPPWKZ-UHFFFAOYSA-N |
Complexity: | 426 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.05686099 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.05686099 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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