chempirical

1-Benzyl-1H-indazol-3-ol

C14H12N2OCAS 2215-63-6224.26 g/mol

Open in Covalent MOL file
HONN
Phenol

Properties

Molecular formula
C14H12N2O
Molar mass
224.26 g/mol
Exact mass
224.0950 Da
Melting point
167 °C
logP
2.79Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2215-63-6
SMILES
Oc1nn(Cc2ccccc2)c2ccccc12
InChIKey
SXPJFDSMKWLOAB-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)

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

Names and synonyms

16 names · show all
  • 3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-
  • 1H-Indazol-3-ol, 1-benzyl-
  • 3-Indazolinone, 1-benzyl-
  • 1,2-Dihydro-1-(phenylmethyl)-3H-indazol-3-one
  • 1-Benzyl-3-hydroxy-1H-indazole
  • 1-Benzyl-3-hydroxyindazole
  • 1-Benzyl-1H-indazolone
  • 3-Hydroxy-1-benzyl-1H-indazole
  • 1-Benzyl-1H-indazol-3-one
  • 1-Benzyl-3-indazolinone
  • 1-Benzyl-3-indazolone
  • 1-Benzyl-1,2-dihydro-3H-indazol-3-one
  • NSC 247064
  • 1-Benzyl-2H-indazol-3-one
  • 1-Benzyl-1H-indazol-3(2H)-one
  • 1-Benzyl-2,3-dihydro-1H-indazol-3-one

Work with 1-Benzyl-1H-indazol-3-ol

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

Bendazac20187-55-750 % similar Bindarit130641-38-246 % similar Benzydamine642-72-846 % similar Benzidamine hydrochloride132-69-443 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-040 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-437 % similar 2,3-Dihydro-1,4-phthalazinedione1445-69-836 % similar Bendazac L-lysine salt81919-14-435 % similar

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

Elsewhere

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