Showing Compound Card for 3-Phenyl-2-pyrazoline (CDB006393)

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Record Information
Version1.0
Created at2021-01-13 17:44:14 UTC
Updated at2021-01-13 17:44:15 UTC
CannabisDB IDCDB006393
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name3-Phenyl-2-pyrazoline
Description3-Phenyl-2-pyrazoline also known as 3-phenyl-4,5-dihydro-1H-pyrazole is a phenyl derivative of 2-pyrazoline in which the phenyl substituent is positioned at C-3 of 2-pyrazoline. 3-Phenyl-2-pyrazoline belongs to the class of organic compounds known as phenylpyrazolines. Phenylpyrazolines are compounds containing a phenylpyrazoline skeleton, which consists of a pyrazoline bound to a phenyl group. 3-Phenyl-2-pyrazoline is one of several structural isomers of phenylpyrazoline wherein the phenyl group is substituted at different positions of the pyrazoline ring. There are three different isomers of pyrazoline including 1-pyrazoline, 2-pyrazoline and 3-pyrazoline. They differ in the position of the double bond in the pyrazoline ring with 1-pyrazoline having the double bond between N-1 and N-2, in 2-pyrazoline between N-2 and C-3 and in 3-pyrazoline between C-3 and C-4. Phenylpyrazolines are found in cannabis smoke. 3-Phenyl-2-pyrazoline is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ).
Structure
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MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
SynonymsNot Available
Chemical FormulaC9H10N2
Average Molecular Weight146.193
Monoisotopic Molecular Weight146.08439833
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
C1CC(=NN1)C1=CC=CC=C1
InChI Identifier
InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-5,10H,6-7H2
InChI KeyAZPXELGXAFZFPC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpyrazoles. Phenylpyrazoles are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassPyrazoles
Direct ParentPhenylpyrazoles
Alternative Parents
Substituents
  • Phenylpyrazole
  • Benzenoid
  • Monocyclic benzene moiety
  • Pyrazoline
  • Azacycle
  • Hydrazone
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
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Physical Properties
StateNot Available
Experimental Properties
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Melting PointNot AvailableNot Available
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Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
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Concentrations Data
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HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID512652
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound589745
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available