| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:18:12 UTC |
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| Updated at | 2021-01-04 20:37:43 UTC |
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| CannabisDB ID | CDB005414 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-propylpyrazole |
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| Description | 1-Propylpyrazole, also known as 1-propyl-1H-pyrazole, belongs to the class of organic compounds known as pyrazoles. Pyrazoles are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. 1-Propylpyrazole is one of several isomers of propylpyrazole which can be substituted by one propyl group at different positions. 1-Propyl-pyrazole is a moderately basic compound. 1-Propylpyrazole is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C6H10N2 |
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| Average Molecular Weight | 110.16 |
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| Monoisotopic Molecular Weight | 110.0844 |
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| IUPAC Name | 1-propyl-1H-pyrazole |
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| Traditional Name | 1-propylpyrazole |
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| CAS Registry Number | Not Available |
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| SMILES | CCCN1C=CC=N1 |
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| InChI Identifier | InChI=1S/C6H10N2/c1-2-5-8-6-3-4-7-8/h3-4,6H,2,5H2,1H3 |
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| InChI Key | BDMFEFZOOOYCKN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyrazoles. Pyrazoles are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azoles |
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| Sub Class | Pyrazoles |
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| Direct Parent | Pyrazoles |
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| Alternative Parents | |
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| Substituents | - Heteroaromatic compound
- Pyrazole
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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