| Canonical Smiles | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N |
|---|---|
| IUPAC Name | 2-methyl-4-nitropyrazole-3-carboxamide |
| InChIKey | OZIJRCYSJKCNNZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H6N4O3/c1-8-4(5(6)10)3(2-7-8)9(11)12/h2H,1H3,(H2,6,10) |
| Isomeric SMILES | CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N |
| PubChem CID | 1878729 |
| Molecular Weight | 170.13 |
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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 Nitroaromatic compounds Heteroaromatic compounds Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Nitroaromatic compound - Pyrazole-5-carboxamide - Azole - Pyrazole - Heteroaromatic compound - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic zwitterion - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - 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 | 170.130 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 170.044 Da |
| Monoisotopic Mass | 170.044 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 213.000 |
| 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 |
