| CAS Number | 129854-24-6 |
| Catalog Number | AG00HRZC(AGN-PC-0WR4C6) |
| Chemical Name | 2-[3-(Pyrazol-1-yl)propyl]isoindole-1,3-dione |
| IUPAC Name | 2-(3-pyrazol-1-ylpropyl)isoindole-1,3-dione |
| InChI | InChI=1S/C14H13N3O2/c18-13-11-5-1-2-6-12(11)14(19)17(13)10-4-9-16-8-3-7-15-16/h1-3,5-8H,4,9-10H2 |
| InChI Key | XVMAETWCOTYRCA-UHFFFAOYSA-N |
| MDL Number | MFCD02755749 |
| Molecular Formula | C14H13N3O2 |
| Molecular Weight | 255.2719 |
| SMILES | O=C1N(CCCn2cccn2)C(=O)c2c1cccc2 |
| Synonyms | 129854-24-6,
2-(3-(1H-Pyrazol-1-yl)propyl)isoindoline-1,3-dione,
2-[3-(PYRAZOL-1-YL)PROPYL]ISOINDOLE-1,3-DIONE,
ZINC169726166,
2-[3-(1H-Pyrazol-1-yl)propyl]-2H-isoindole-1,3-dione,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.277g/mol |
| Monoisotopic Mass | 255.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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