chempirical

3-Amino-1-phenyl-2-pyrazolin-5-one

C9H9N3OCAS 4149-06-8175.19 g/mol

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HNONNH
AmideAmidineLactam

Properties

Molecular formula
C9H9N3O
Molar mass
175.19 g/mol
Exact mass
175.0746 Da
Melting point
218–219 °C
logP
0.91Crippen estimate
Polar surface area
56.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
4149-06-8
SMILES
N=C1CC(=O)N(c2ccccc2)N1
InChIKey
LPOVZHYARSAVIZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)

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Names and synonyms

11 names
  • 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-phenyl-
  • 2-Pyrazolin-5-one, 3-amino-1-phenyl-
  • 5-Amino-2,4-dihydro-2-phenyl-3H-pyrazol-3-one
  • 1-Phenyl-3-amino-5-pyrazolone
  • 3-Amino-1-phenyl-5-pyrazolone
  • 1-Phenyl-3-aminopyrazolin-5-one
  • NSC 3336
  • 1-Phenyl-3-amino-2-pyrazolin-5-one PAP
  • 3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole
  • 3-Amino-1-phenyl-1H-pyrazol-5(4H)-one
  • 3-Amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

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Work with 3-Amino-1-phenyl-2-pyrazolin-5-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

1-(2,4,6-Trichlorophenyl)-3-amino-5-pyrazolone27241-31-254 % similar 3-Amino-1-phenyl-2-pyrazoline3314-35-045 % similar 2-Chloro-N-methyl-N-phenylacetamide2620-05-542 % similar 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-640 % similar N,N-Diphenylacetamide519-87-939 % similar 1-Phenyl-2-pyrrolidinone4641-57-038 % similar Edaravone89-25-838 % similar Clobazam22316-47-837 % similar

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

Same formula

(1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-4

Elsewhere

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