3-(2H-Pyrazol-3-yl)benzonitrile

C₁₀H₇N₃CAS 149739-51-5169.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₇N₃
Molar mass: 169.19 g/mol
Exact mass: 169.0640 Da
logP: 1.95Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

149739-51-5

SMILES

C1=CC(=CC(=C1)C2=CC=NN2)C#N

InChIKey

WQWOJXMJOXAWKH-UHFFFAOYSA-N

InChI

InChI=1S/C10H7N3/c11-7-8-2-1-3-9(6-8)10-4-5-12-13-10/h1-6H,(H,12,13)

Weigh it out

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

Work with 3-(2H-Pyrazol-3-yl)benzonitrile

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

Isophthalonitrile626-17-548 % similar 3-(1H-Pyrazol-3-yl)pyridine45887-08-946 % similar 3-(4-Chlorophenyl)-1H-pyrazole59843-58-243 % similar 3-Fluorobenzonitrile403-54-342 % similar 3-Chlorobenzonitrile766-84-742 % similar 3-Cyanophenol873-62-142 % similar 3-Aminobenzonitrile2237-30-141 % similar 3-Methylbenzonitrile620-22-441 % similar

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

Same formula

4-(1H-Imidazol-1-yl)benzonitrile25372-03-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook