chempirical

4-Chloro-2-(1H-pyrazol-3-yl)phenol

C9H7ClN2OCAS 18704-67-1194.62 g/mol

Open in Covalent MOL file
HOClHNN
Aryl halidePhenol

Properties

Molecular formula
C9H7ClN2O
Molar mass
194.62 g/mol
Exact mass
194.0247 Da
Melting point
150–152 °C
logP
2.44Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
18704-67-1
SMILES
Oc1ccc(Cl)cc1-c1cc[nH]n1
InChIKey
DMGLUMYOLOAXJY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)

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Names and synonyms

6 names
  • Phenol, 4-chloro-2-(1H-pyrazol-3-yl)-
  • Phenol, 4-chloro-2-pyrazol-3-yl-
  • Phenol, 4-chloro-2-[pyrazol-3(or 5)-yl]-
  • Mycanodin
  • 4-Chloro-2-(3-pyrazolyl)phenol
  • Kr 104

Work with 4-Chloro-2-(1H-pyrazol-3-yl)phenol

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

4-Chlorocatechol2138-22-945 % similar 2,4-Dichlorophenol120-83-243 % similar 2,2'-Methylenebis(4-chlorophenol)1322-43-641 % similar 4-Chloro-2-methylphenol1570-64-541 % similar 4-Chloro-2-fluorophenol348-62-941 % similar 2-Bromo-4-chlorophenol695-96-541 % similar 4-Chloro-2-iodophenol71643-66-841 % similar 2-Amino-4-chlorophenol95-85-241 % similar

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

Same formula

3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole1201-68-9 N-(4-Chlorophenyl)-2-cyanoacetamide17722-17-7

Elsewhere

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