3-Methyl-1-phenylpyrazolone

C10H10N2OCAS 19735-89-8174.20 g/mol

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ONNH

Properties

Molecular formula
C10H10N2O
Molar mass
174.20 g/mol
Exact mass
174.0793 Da
Melting point
128 °C
logP
1.47Crippen estimate
Polar surface area
37.8 Ų
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.

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Identifiers

CAS number
19735-89-8
SMILES
Cc1cc(=O)n(-c2ccccc2)[nH]1
InChIKey
KZQYIMCESJLPQH-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3

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Names and synonyms

10 names
  • 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-
  • 3-Pyrazolin-5-one, 3-methyl-1-phenyl-
  • 1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
  • N-Desmethylantipyrine
  • N-Demethylantipyrine
  • 1-Phenyl-3-methyl-δ3-pyrazol-5-one
  • 1-Phenyl-3-methyl-5-pyrazolone
  • 5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one
  • 2,3-Dihydro-5-methyl-2-phenyl-1H-pyrazol-3-one
  • 1H-Pyrazol-5-ol, 3-methyl-1-phenyl-

Work with 3-Methyl-1-phenylpyrazolone

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-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one277299-70-463 % similar 1,3-Dimethyl-5-hydroxypyrazole5203-77-048 % similar Antipyrine60-80-045 % similar Pirfenidone53179-13-839 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-433 % similar Ampyrone83-07-833 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-533 % similar 4-Hydroxy-2-methylquinoline607-67-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Methoxyphenyl)-1H-imidazole10040-95-6 (4-Pyrazol-1-ylphenyl)methanol143426-49-7 7-Amino-4-methyl-2-quinolinone19840-99-4 4-Acetamidophenylacetonitrile25025-06-3 1,3-Dihydro-1-(1-methylethenyl)-2H-benzimidazol-2-one52099-72-6 3-(2-Hydroxy-5-methylphenyl)pyrazole57148-86-4 (4-(1H-Imidazol-1-yl)phenyl)methanol86718-08-3 Indole-3-acetamide879-37-8

Elsewhere

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