| CAS Number | 1610377-19-9 |
| Catalog Number | AG00J0NJ(AGN-PC-0WAYER) |
| Chemical Name | 4-oxo-2-phenyl-4,5-dihydropyrazolo[1,5-a]pyrazine-3-carbaldehyde |
| IUPAC Name | 4-oxo-2-phenyl-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde |
| InChI | InChI=1S/C13H9N3O2/c17-8-10-11(9-4-2-1-3-5-9)15-16-7-6-14-13(18)12(10)16/h1-8H,(H,14,18) |
| InChI Key | GTIOQFIDPGGZFO-UHFFFAOYSA-N |
| MDL Number | MFCD27974709 |
| Molecular Formula | C13H9N3O2 |
| Molecular Weight | 239.2295 |
| SMILES | O=C1(NC=CN3(C1=C(C(C2(=CC=CC=C2))=N3)C=O)) |
| Synonyms | 1610377-19-9,
4-oxo-2-phenyl-4,5-dihydropyrazolo[1,5-a]pyrazine-3-carbaldehyde,
4-oxo-2-phenyl-4H,5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde,
HTS001266,
MFCD27974709,
ZINC96530849,
AKOS025392420,
BS-3102,
KS-0000235H,
OR310699,
4-Oxo-2-phenyl-4,5-dihydropyrazolo-[1,5-a]pyrazine-3-carbaldehyde,
C13H9N3O2,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.234g/mol |
| Monoisotopic Mass | 239.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number