5-Amino-2,4-dihydro-3H-pyrazol-3-one

C3H5N3OCAS 6126-22-399.09 g/mol

Open in Covalent MOL file
HNONHHN
AmidineHydrazone

Properties

Molecular formula
C3H5N3O
Molar mass
99.09 g/mol
Exact mass
99.0433 Da
Melting point
214–215 °C (decomposes)
logP
-0.17Crippen estimate
Polar surface area
68.5 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6126-22-3
SMILES
N=C1CC(O)=NN1
InChIKey
UELIBMUMKLRTKJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H2,(H2,4,5)(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-
  • 2-Pyrazolin-5-one, 3-amino-
  • 3-Pyrazolidinone, 5-imino-
  • 3-Amino-5-pyrazolone
  • 3-Amino-2-pyrazolin-5-one
  • 3-Aminopyrazolone
  • NSC 30480
  • NSC 34806
  • NSC 50565
  • 3-Amino-5-oxo-4,5-dihydropyrazole
  • 3-Amino-1,4-dihydropyrazol-5-one
  • 3-Amino-4,5-dihydro-1H-pyrazol-5-one

Work with 5-Amino-2,4-dihydro-3H-pyrazol-3-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Malonamide108-13-433 % similar 3-Methyl-2-pyrazolin-5-one108-26-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyanoacetic acid hydrazide140-87-4 5-Methyl-1,3,4-oxadiazol-2-amine52838-39-8 2-Amino-2-cyanoacetamide6719-21-7

Elsewhere

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