| Canonical Smiles | C1C(=NNC1=O)N |
|---|---|
| IUPAC Name | 3-amino-1,4-dihydropyrazol-5-one |
| InChIKey | UELIBMUMKLRTKJ-UHFFFAOYSA-N |
| INCHI | 1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H2,(H2,4,5)(H,6,7) |
| Molecular Weight | 99.09 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolines |
| Subclass | Pyrazolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolones |
| Alternative Parents | Imidolactams Amidrazones Azacyclic compounds Amidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Imidolactam - Pyrazolinone - Carboxylic acid amidrazone - Azacycle - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 99.090 g/mol |
|---|---|
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 99.0433 Da |
| Monoisotopic Mass | 99.0433 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 128.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
