| CAS Number | 1338666-95-7 |
| Catalog Number | AG00HT2F(AGN-PC-0WAYEE) |
| Chemical Name | 2-(4-isopropylphenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one |
| IUPAC Name | 2-(4-propan-2-ylphenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one |
| InChI | InChI=1S/C15H15N3O/c1-10(2)11-3-5-12(6-4-11)13-9-14-15(19)16-7-8-18(14)17-13/h3-10H,1-2H3,(H,16,19) |
| InChI Key | SCLLPDPHIWGIOQ-UHFFFAOYSA-N |
| MDL Number | MFCD25951875 |
| Molecular Formula | C15H15N3O |
| Molecular Weight | 253.2991 |
| SMILES | O=C1(NC=CN3(C1=CC(C2(=CC=C(C(C)C)C=C2))=N3)) |
| Synonyms | 2-(4-isopropylphenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one,
1338666-95-7,
HTS001024,
MFCD25951875,
ZINC70459043,
AKOS025392418,
BS-3079,
OR310687,
KS-00002352,
2-[4-(propan-2-yl)phenyl]-4H,5H-pyrazolo[1,5-a]pyrazin-4-one,
C15H15N3O,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.305g/mol |
| Monoisotopic Mass | 253.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number