chempirical

1-Phenylpyrazole

C9H8N2CAS 1126-00-7144.18 g/mol

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Properties

Molecular formula
C9H8N2
Molar mass
144.18 g/mol
Exact mass
144.0687 Da
Density
1.0908 g/mL (at 20 °C)
Melting point
138 °C
Boiling point
141–142 °C
logP
1.87Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1126-00-7
SMILES
c1ccc(-n2cccn2)cc1
InChIKey
WITMXBRCQWOZPX-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrazole, 1-phenyl-
  • Pyrazole, 1-phenyl-
  • 1-Phenyl-1H-pyrazole
  • N-Phenylpyrazole
  • NSC 65588

Work with 1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-1-phenyl-1H-pyrazole1128-54-743 % similar 1-Phenylpyrrole635-90-540 % similar 1,3-Dihydro-1-phenyl-2H-imidazole-2-thione17452-09-438 % similar 1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-938 % similar 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-535 % similar (1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-434 % similar 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-133 % similar 1-Methyl-1H-pyrazole930-36-933 % similar

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

Same formula

5-Aminoisoquinoline1125-60-6 7-Indolinecarbonitrile115661-82-0 5-Methylquinoxaline13708-12-8 1-Isoquinolinamine1532-84-9 4-Isoquinolinamine23687-25-4 8-Isoquinolinamine23687-27-6 3-Phenylpyrazole2458-26-6 8-Aminoquinoline578-66-5

Elsewhere

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