4,5-Dihydro-1H-pyrazole (CED0011294)

Record Information
Version1.0
Creation Date2026-04-04 18:30:08 UTC
Update Date2026-08-22 13:21:15 UTC
Accession NumberCHEM077734
Identification
Common Name4,5-Dihydro-1H-pyrazole
ClassSmall Molecule
Description
4,5-Dihydro-1H-pyrazole is an organic compound with the chemical formula C3H6N2 and an average molecular weight of 70.09 g/mol. 4,5-Dihydro-1H-pyrazole belongs to the pyrazolines, a subclass of azolines within the organic compounds. This substance is further categorized under the superclass of organoheterocyclic compounds. The compound is identified in or released from 13 recorded sources across several different sectors. Within the category of electrical and electronic equipment, it is associated with amplifiers, antennas, discharge lamps, emergency protective devices, and loudspeakers, among one other source. In the context of food, food processing, and cookware, it is found in the preparation of malt, the preparation of wine or sparkling wine, fermentation processes for beer, and the processing of meats. Additionally, it is linked to household cleaning and consumer products, specifically appearing in tobacco product cases, pipe accessories, and cigar cigarettes.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC3H6N2
Average Molecular Mass70.090 g/mol
Monoisotopic Mass70.053 g/mol
CAS Registry Number109-98-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2
InChI KeyMCGBIXXDQFWVDW-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
237.0Log mg/kg[130:420]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
526LoudspeakersElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
602MolluscicidesAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
634BucklesTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
651Purses Money Bags WalletsTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Nischarin structureClick to view 3D structureNischarinQ9Y2I1HumansPredicted (SEA)4741.41
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)7716.34
Click to view 3D structureAlpha-2A adrenergic receptorQ28838Bos taurusPredicted (SEA)5340.61
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)7754.48
Click to view 3D structureAlpha-1A adrenergic receptorP18130Bos taurusPredicted (SEA)7397.54
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)7737.67
Click to view 3D structureNischarinQ4G017Rattus norvegicusPredicted (SEA)2761.78
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)7719.53
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)7769.04
Click to view 3D structure5-hydroxytryptamine receptor 1BP28564Rattus norvegicusPredicted (SEA)7617.86
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)7773.63
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7770.68
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)7764.29
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)7759.31
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)7750.51
5-hydroxytryptamine receptor 1D structureClick to view 3D structure5-hydroxytryptamine receptor 1DP28221HumansPredicted (SEA)7751.21
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)7685.51
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)7752.3
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)7755.03
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)7772.15
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)7734.48
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)7765.38
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)7770.05
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)7768.03
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)7683.8
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available