3-Methyl-3-pyrazolin-5-one

C4H6N2OCAS 4344-87-098.11 g/mol

Open in Covalent MOL file
ONHHN

Properties

Molecular formula
C4H6N2O
Molar mass
98.11 g/mol
Exact mass
98.0480 Da
logP
0.01Crippen estimate
Polar surface area
48.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
4344-87-0
SMILES
CC1=CC(=O)NN1
InChIKey
WGVHNCAJPFIFCR-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)

Weigh it out

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

Work with 3-Methyl-3-pyrazolin-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-Amino-5-methylpyrazole31230-17-846 % similar 4,6-Dimethylpyridin-2-ol16115-08-544 % similar 6-Methylpyridin-2-ol91914-07-741 % similar 2,6-Dimethyl-4-pyridinol13603-44-640 % similar 4-Bromopyridazine-3,6-diol15456-86-739 % similar 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-938 % similar 2-Hydroxy-4-methylpyridine13466-41-636 % similar 4-Hydroxy-2-methylpyridine18615-86-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-5-methylisoxazole1072-67-9 3-Methyl-2-pyrazolin-5-one108-26-9 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-3 5-Amino-3-methylisoxazole14678-02-5 (1H-Pyrazol-3-yl)methanol23585-49-1 1H-Pyrazole-4-methanol25222-43-9 1-Methyl-1H-pyrazol-5-ol33641-15-5 2-Amino-4-methyloxazole35629-70-0

Elsewhere

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