| CAS Number | 880487-62-7 |
| Catalog Number | AG00GTBL(AGN-PC-00DGGR) |
| Chemical Name | 4-[(5-Methyl-1H-pyrazol-3-yl)amino]-2-phenyl-1(2H)-phthalazinone |
| IUPAC Name | 4-[(5-methylpyrazolidin-3-yl)amino]-2-phenylphthalazin-1-one |
| InChI | InChI=1S/C18H19N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-10,12,16,20-21H,11H2,1H3,(H,19,22) |
| InChI Key | SPVNWOZUIUBDHF-UHFFFAOYSA-N |
| MDL Number | MFCD28399120 |
| Molecular Formula | C18H15N5O |
| Molecular Weight | 317.3446 |
| SMILES | CC1=CC(=NN1)NC1=NN(C(C2=CC=CC=C12)=O)C1=CC=CC=C1 |
| Synonyms | Phthalazinone pyrazole,
880487-62-7,
|
| Complexity | 502 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.384g/mol |
| Monoisotopic Mass | 321.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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