| CAS Number | 26502-92-1 |
| Catalog Number | AG00I512(AGN-PC-03JSJO) |
| Chemical Name | 5-Cyclopropyl-2,4-dihydro-3H-pyrazol-3-one |
| IUPAC Name | 3-cyclopropyl-1,4-dihydropyrazol-5-one |
| InChI | InChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h4H,1-3H2,(H,8,9) |
| InChI Key | NDQDORROJIYSBZ-UHFFFAOYSA-N |
| MDL Number | MFCD09028463 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | C1(CC1)C=1CC(NN1)=O |
| Synonyms | 26502-92-1,
3-cyclopropyl-1H-pyrazol-5(4H)-one,
SCHEMBL3533516,
3-cyclopropyl-2-pyrazolin-5-one,
NDQDORROJIYSBZ-UHFFFAOYSA-N,
AKOS012657828,
5-cyclopropyl-2,4-dihydro-pyrazol-3-one,
3H-Pyrazol-3-one, 5-cyclopropyl-2,4-dihydro-,
3-CYCLOPROPYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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