3-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid - CAS 1443279-18-2
Catalog: |
BB052333 |
Product Name: |
3-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
CAS: |
1443279-18-2 |
Synonyms: |
3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylicacid |
IUPAC Name: | 3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
Molecular Weight: | 245.16 |
Molecular Formula: | C9H6F3N3O2 |
Canonical SMILES: | CC1=C2N=C(C=C(N2N=C1)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C9H6F3N3O2/c1-4-3-13-15-5(8(16)17)2-6(9(10,11)12)14-7(4)15/h2-3H,1H3,(H,16,17) |
InChI Key: | FVVPKUNEEAQXPQ-UHFFFAOYSA-N |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.04121093 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.04121093 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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