| Sonrisas canónicas | C1=CC(=CC(=C1)Br)C2=NNC(=C2)C(=O)NN |
|---|---|
| IUPAC Name | 3-(3-bromophenyl)-1H-pyrazole-5-carbohydrazide |
| InChIKey | FDZIFWMVWMXZPD-UHFFFAOYSA-N |
| INCHI | 1S/C10H9BrN4O/c11-7-3-1-2-6(4-7)8-5-9(15-14-8)10(16)13-12/h1-5H,12H2,(H,13,16)(H,14,15) |
| Isómeros SMILES | C1=CC(=CC(=C1)Br)C2=NNC(=C2)C(=O)NN |
| PubChem CID | 7147491 |
| Peso molecular | 281.113 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazole-5-carboxamides Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Pyrazole-5-carboxamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 281.110 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 279.996 Da |
| Monoisotopic Mass | 279.996 Da |
| Topological Polar Surface Area | 83.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| 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 |
