chempirical

3-Propyl-1,4-dihydropyrazol-5-one

C6H10N2OCAS 29211-70-9126.16 g/mol

Open in Covalent MOL file
NNHO
AmideHydrazoneLactam

Properties

Molecular formula
C6H10N2O
Molar mass
126.16 g/mol
Exact mass
126.0793 Da
logP
0.66Crippen estimate
Polar surface area
41.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
29211-70-9
SMILES
CCCC1=NNC(=O)C1
InChIKey
GVUNLYBSNQOHBD-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O/c1-2-3-5-4-6(9)8-7-5/h2-4H2,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

1 names
  • 3-N-Propyl-2-pyrazolin-5-one

Work with 3-Propyl-1,4-dihydropyrazol-5-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

3-tert-Butyl-4,5-dihydro-1H-pyrazol-5-one29211-68-542 % similar 2,4-Dihydro-2-methyl-5-propyl-3H-pyrazol-3-one31272-04-539 % similar 4-Heptanone123-19-336 % similar 2-Pentanone107-87-933 % similar 6-Oxo-1,4,5,6-tetrahydropyridazin-3-carboxylic acid27372-38-933 % similar Cuprizone370-81-033 % similar Butyric anhydride106-31-032 % similar Butyric acid107-92-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1,5-Dimethyl-1H-pyrazol-3-yl)methanol153912-60-8 2-Methyl-1H-imidazole-1-ethanol1615-15-2 (1,3-Dimethyl-1H-pyrazol-5-yl)methanol57012-20-1 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook