| Canonical Smiles | CCC1=CC(=NN1C)C(=O)NN |
|---|---|
| IUPAC Name | 5-ethyl-1-methylpyrazole-3-carbohydrazide |
| InChIKey | RIFQSZRERIEYTR-UHFFFAOYSA-N |
| INCHI | 1S/C7H12N4O/c1-3-5-4-6(7(12)9-8)10-11(5)2/h4H,3,8H2,1-2H3,(H,9,12) |
| Isomeric SMILES | CCC1=CC(=NN1C)C(=O)NN |
| Alternate CAS | 1415719-49-1 |
| PubChem CID | 71668889 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Pyrazole carboxylic acids and derivatives |
| Direct Parent | Pyrazole-5-carboxamides |
| Alternative Parents | Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazole-5-carboxamide - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazole-5-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position. |
| External Descriptors | Not available |
| Molecular Weight | 168.200 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 168.101 Da |
| Monoisotopic Mass | 168.101 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 173.000 |
| 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 |
