chempirical

2,4-Dihydro-2-methyl-5-propyl-3H-pyrazol-3-one

C7H12N2OCAS 31272-04-5140.19 g/mol

Open in Covalent MOL file
NNO
AmideHydrazoneLactam

Properties

Molecular formula
C7H12N2O
Molar mass
140.19 g/mol
Exact mass
140.0950 Da
logP
1.00Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
31272-04-5
SMILES
CCCC1=NN(C)C(=O)C1
InChIKey
RULINAPACRUGOF-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2O/c1-3-4-6-5-7(10)9(2)8-6/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-propyl-
  • 2-Pyrazolin-5-one, 1-methyl-3-propyl-
  • 1-Methyl-3-propyl-5-pyrazolone
  • 1-Methyl-3-propyl-2-pyrazolin-5-one
  • 2-Methyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
  • 1-Methyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
  • 1-Methyl-3-propyl-1H-pyrazol-5(4H)-one
  • 2-Methyl-5-propyl-4H-pyrazol-3-one

Work with 2,4-Dihydro-2-methyl-5-propyl-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

N,N-Dimethylbutanamide760-79-245 % similar 2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one1481-02-344 % similar N,N-Dimethylhexanamide5830-30-837 % similar N,N-Dimethyldecanamide14433-76-236 % similar N-Butyl-2-pyrrolidone3470-98-233 % similar N-Methylsuccinimide1121-07-932 % similar N-Octylpyrrolidone2687-94-732 % similar N-Dodecyl-2-pyrrolidone2687-96-932 % similar

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

Same formula

N,N′-Di-2-propen-1-ylurea1801-72-5 2-Cyano-N,N-diethylacetamide26391-06-0 4-Morpholinepropanenitrile4542-47-6

Elsewhere

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