Ethyl 3-cyano-7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate - CAS 1245808-24-5
Catalog: |
BB043000 |
Product Name: |
Ethyl 3-cyano-7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate |
CAS: |
1245808-24-5 |
Synonyms: |
SBB051396; STL414794; ZINC47476076 |
IUPAC Name: | ethyl 3-cyano-7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate |
Description: | Ethyl 3-cyano-7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CAS# 1245808-24-5 ) is a useful research chemical. |
Molecular Weight: | 256.26 |
Molecular Formula: | C13H12N4O2 |
Canonical SMILES: | CCOC(=O)C1=C(N2C(=C(C=N2)C#N)N=C1)C3CC3 |
InChI: | InChI=1S/C13H12N4O2/c1-2-19-13(18)10-7-15-12-9(5-14)6-16-17(12)11(10)8-3-4-8/h6-8H,2-4H2,1H3 |
InChI Key: | FJBNGTYPNMTFOA-UHFFFAOYSA-N |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.09602564 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.09602564 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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