chempirical

3-Phenylpyrazole

C9H8N2CAS 2458-26-6144.18 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
Density
1.1037 g/mL (at 18.9 °C)
Melting point
78 °C
Boiling point
189–196 °C (at 20 Torr)
logP
2.08Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
2458-26-6
SMILES
c1ccc(-c2cc[nH]n2)cc1
InChIKey
OEDUIFSDODUDRK-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)

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

Names and synonyms

6 names
  • 1H-Pyrazole, 3-phenyl-
  • Pyrazole, 3-phenyl-
  • Pyrazole, 3(or 5)-phenyl-
  • 3-Phenyl-1H-pyrazole
  • 5-Phenyl-1H-pyrazole
  • 5-Phenylpyrazole

Work with 3-Phenylpyrazole

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-(2-Thienyl)-1H-pyrazole19933-24-547 % similar 2,6-Diphenylpyridine3558-69-844 % similar 2-Phenylimidazole670-96-243 % similar 3-Methyl-5-phenylpyrazole3347-62-442 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-642 % similar 5-Phenyltetrazole18039-42-441 % similar 2-Phenylpyridine1008-89-541 % similar 5-Methyl-2-phenylpyridine27012-22-239 % similar

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

Same formula

5-Aminoisoquinoline1125-60-6 1-Phenylpyrazole1126-00-7 7-Indolinecarbonitrile115661-82-0 5-Methylquinoxaline13708-12-8 1-Isoquinolinamine1532-84-9 2-Methyl-[1,8]naphthyridine1569-16-0 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6

Elsewhere

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