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

C12H14N2OCAS 277299-70-4202.26 g/mol

Open in Covalent MOL file
NOHN

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook