5,7-Diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester - CAS 895764-31-5
Catalog: |
BB066698 |
Product Name: |
5,7-Diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester |
CAS: |
895764-31-5 |
Synonyms: |
5,7-Diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester; ethyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxylate; 3-ethoxycarbonyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine |
IUPAC Name: | ethyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxylate |
Description: | Intermediate in the preparation of Reversan (R279800), a new class of nontoxic MRP1 inhibitor. |
Molecular Weight: | 343.38 |
Molecular Formula: | C21H17N3O2 |
Canonical SMILES: | CCOC(=O)C1=C2N=C(C=C(N2N=C1)C3=CC=CC=C3)C4=CC=CC=C4 |
InChI: | InChI=1S/C21H17N3O2/c1-2-26-21(25)17-14-22-24-19(16-11-7-4-8-12-16)13-18(23-20(17)24)15-9-5-3-6-10-15/h3-14H,2H2,1H3 |
InChI Key: | VPVGNODMXRSGGB-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | Yellow Solid |
Complexity: | 474 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.132076794 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.132076794 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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