| Canonical Smiles | C1=C(NN=C1C(=O)N)C(=O)N |
|---|---|
| IUPAC Name | 1H-pyrazole-3,5-dicarboxamide |
| InChIKey | ZVXTUAKXYXKULZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H6N4O2/c6-4(10)2-1-3(5(7)11)9-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9) |
| Isomeric SMILES | C1=C(NN=C1C(=O)N)C(=O)N |
| Molecular Weight | 154.13 |
| Reaxy-Rn | 22883852 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22883852&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Pyrazole-5-carboxamides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Azole - Pyrazole - Heteroaromatic compound - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Molecular Weight | 154.130 g/mol |
|---|---|
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.049 Da |
| Monoisotopic Mass | 154.049 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
