| Canonical Smiles | CNC(=O)C1=C(N(N=C1)C)N |
|---|---|
| IUPAC Name | 5-amino-N,1-dimethylpyrazole-4-carboxamide |
| InChIKey | LOYKLDXYNWYWDS-UHFFFAOYSA-N |
| INCHI | 1S/C6H10N4O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,7H2,1-2H3,(H,8,11) |
| Isomeric SMILES | CNC(=O)C1=C(N(N=C1)C)N |
| PubChem CID | 37134601 |
| Molecular Weight | 154.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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-4-carboxamides |
| Alternative Parents | Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrazole-4-carboxamide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazole-4-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position. |
| External Descriptors | Not available |
| Molecular Weight | 154.170 g/mol |
|---|---|
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.085 Da |
| Monoisotopic Mass | 154.085 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 161.000 |
| 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 |
