Summary

IMPPAT Phytochemical identifier: IMPHY000541

Phytochemical name: Pyrazoline

Synonymous chemical names:
pyrazoline

Chemical structure information

SMILES:
C1CN=NC1

InChI:
InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2

InChIKey:
DNXIASIHZYFFRO-UHFFFAOYSA-N

DeepSMILES:
CCN=NC5

Functional groups:
CN=NC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CN=NC1

Scaffold Graph/Node level:
C1CNNC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Azo compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.209

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Chemical structure download