1-p-Tolyl-3-methyl-5-pyrazolone

C₁₁H₁₂N₂OCAS 86-92-0188.23 g/mol

Open in Covalent MOL file

Amide Hydrazone Lactam

Properties

Molecular formula: C₁₁H₁₂N₂O
Molar mass: 188.23 g/mol
Exact mass: 188.0950 Da
Melting point: 132–134 °C
logP: 2.11Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed18.5% of notifiers
H317 May cause an allergic skin reaction70.7% of notifiers
H412 Harmful to aquatic life with long lasting effects72.2% of notifiers

Aggregated from 205 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

86-92-0

SMILES

CC1=NN(c2ccc(C)cc2)C(=O)C1

InChIKey

IOQOLGUXWSBWHR-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-methylphenyl)-
2-Pyrazolin-5-one, 3-methyl-1-p-tolyl-
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
1-(p-Tolyl)-3-methylpyrazolone-5
3-Methyl-1-(p-tolyl)-2-pyrazolin-5-one
3-Methyl-1-p-tolyl-5-pyrazolone
3-Methyl-1-(4-methylphenyl)-5-pyrazolone
3-Methyl-1-(4-methylphenyl)-2-pyrazolin-5-one
3-Methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one

Work with 1-p-Tolyl-3-methyl-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

1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-372 % similar Mci-18689-25-871 % similar 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-167 % similar 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid60875-16-365 % similar 1-(4-Nitrophenyl)-3-methyl-5-pyrazolone6402-09-162 % similar 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid89-36-162 % similar 3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one90-31-359 % similar 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone14580-22-455 % similar

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

Same formula

(1-Benzyl-1H-imidazol-2-yl)methanol5376-10-3 Antipyrine60-80-0 (-)-Vasicine6159-55-3 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-3

Elsewhere

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