5-(Ethoxycarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 937601-49-5
Catalog: |
BB042823 |
Product Name: |
5-(Ethoxycarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
937601-49-5 |
Synonyms: |
CTK6F7522; SBB024553; STK351523 |
IUPAC Name: | 5-ethoxycarbonyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 5-(Ethoxycarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 937601-49-5 ) is a useful research chemical. |
Molecular Weight: | 303.19 |
Molecular Formula: | C11H8F3N3O4 |
Canonical SMILES: | CCOC(=O)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C11H8F3N3O4/c1-2-21-10(20)6-3-7(11(12,13)14)17-8(15-6)4-5(16-17)9(18)19/h3-4H,2H2,1H3,(H,18,19) |
InChI Key: | AIBJHPLDHYYNJV-UHFFFAOYSA-N |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.04669023 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.04669023 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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