1,3-Dimethyl-5-pyrazolone

C₅H₈N₂OCAS 2749-59-9112.13 g/mol

Open in Covalent MOL file

Amide Hydrazone Lactam

Properties

Molecular formula: C₅H₈N₂O
Molar mass: 112.13 g/mol
Exact mass: 112.0637 Da
Melting point: 122 °C
Boiling point: 88–89 °C (at 10 Torr)
logP: 0.22Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed76% of notifiers
H315 Causes skin irritation24% of notifiers
H319 Causes serious eye irritation100% of notifiers
H341 Suspected of causing genetic defects76% of notifiers
H412 Harmful to aquatic life with long lasting effects98% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

2749-59-9

SMILES

CC1=NN(C)C(=O)C1

InChIKey

NDELSWXIAJLWOU-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-
2-Pyrazolin-5-one, 1,3-dimethyl-
2,4-Dihydro-2,5-dimethyl-3H-pyrazol-3-one
1,3-Dimethyl-5-pyrazolinone
1,3-Dimethyl-2-pyrazolin-5-one
NSC 304
2,5-Dimethyl-2,4-dihydro-pyrazol-3-one
1,3-Dimethyl-4,5-dihydro-1H-pyrazol-5-one
2,5-Dimethyl-4H-pyrazol-3-one
1,3-Dimethyl-1H-pyrazol-5(4H)-one

Work with 1,3-Dimethyl-5-pyrazolone

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

2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one1481-02-350 % similar 2,4-Dihydro-2-methyl-5-propyl-3H-pyrazol-3-one31272-04-550 % similar Edaravone89-25-846 % similar 1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-343 % similar 1-P-Tolyl-3-methyl-5-pyrazolone86-92-043 % similar 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone14580-22-440 % similar 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-140 % similar 1-(3-Chlorophenyl)-3-methyl-5-pyrazolone90-31-340 % similar

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

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Imidazole-1-ethanol1615-14-1 5-Amino-3,4-dimethylisoxazole19947-75-2 4-(Hydroxymethyl)-5-methylimidazole29636-87-1 4,5-Dihydro-6-methyl-3(2H)-pyridazinone5157-08-4 1-Methyl-1H-pyrazole-5-methanol84547-61-5

Elsewhere

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