| CAS Number | 1443978-16-2 |
| Catalog Number | AG00HX2G(AGN-PC-0WAYFU) |
| Chemical Name | 4-Oxo-6-phenyl-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| IUPAC Name | 4-oxo-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C13H9N3O3/c17-12-11-6-9(13(18)19)15-16(11)7-10(14-12)8-4-2-1-3-5-8/h1-7H,(H,14,17)(H,18,19) |
| InChI Key | NTJJBIZETLBVHO-UHFFFAOYSA-N |
| MDL Number | MFCD25953192 |
| Molecular Formula | C13H9N3O3 |
| Molecular Weight | 255.2289 |
| SMILES | O=C2(NC(C1(=CC=CC=C1))=CN3(C2=CC(C(=O)O)=N3)) |
| Synonyms | 4-oxo-6-phenyl-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid,
1443978-16-2,
HTS001628,
MFCD25953192,
ZINC96025134,
AKOS021730276,
BS-3160,
KS-0000236S,
OR310743,
4-oxo-6-phenyl-4H,5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid,
C13H9N3O3,
4-Oxo-6-phenyl-4,5-dihydropyrazolo-[1,5-a]pyrazine-2-carboxylic acid,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.233g/mol |
| Monoisotopic Mass | 255.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number