5-Phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid - CAS 1011355-77-3
Catalog: |
BB052921 |
Product Name: |
5-Phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
CAS: |
1011355-77-3 |
Synonyms: |
5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylicacid |
IUPAC Name: | 5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
Molecular Weight: | 239.23 |
Molecular Formula: | C13H9N3O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC3=CC=NN3C(=C2)C(=O)O |
InChI: | InChI=1S/C13H9N3O2/c17-13(18)11-8-10(9-4-2-1-3-5-9)15-12-6-7-14-16(11)12/h1-8H,(H,17,18) |
InChI Key: | DMRXYZWKKFOYSM-UHFFFAOYSA-N |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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