2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one

C₁₂H₁₄N₂OCAS 277299-70-4202.26 g/mol

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Properties

Molecular formula: C₁₂H₁₄N₂O
Molar mass: 202.26 g/mol
Exact mass: 202.1106 Da
logP: 2.09Crippen estimate
Polar surface area: 37.8 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

277299-70-4

SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(N2)C)C

InChIKey

HBWBJCSXUJIDGN-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-7,13H,1-3H3

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Names and synonyms

1 names

1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one

Work with 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-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

3-Methyl-1-phenylpyrazolone19735-89-863 % similar 1,3-Dimethyl-5-hydroxypyrazole5203-77-044 % similar 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-032 % similar 1,2,4-Trimethylbenzene95-63-631 % similar 3,4-Dimethylbenzaldehyde5973-71-731 % similar 3,4-Dimethylbenzotrifluoride78164-31-531 % similar 1-Iodo-3,4-dimethylbenzene31599-61-831 % similar

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

Same formula

4-Benzylmorpholine-2-carbonitrile126645-52-1 2-(3,4-Dimethylphenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one18048-64-1 2-Piperidin-4-yl-benzooxazole51784-03-3

Elsewhere

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