chempirical

5-Amino-4-cyano-1H-pyrazole-3-acetonitrile

C6H5N5CAS 54711-21-6147.14 g/mol

Open in Covalent MOL file
NNHNHHNN
Nitrile

Properties

Molecular formula
C6H5N5
Molar mass
147.14 g/mol
Exact mass
147.0545 Da
Melting point
197–198 °C
logP
-0.24Crippen estimate
Polar surface area
103.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
54711-21-6
SMILES
N#CCc1[nH][nH]c(=N)c1C#N
InChIKey
GSXISOIYTHIBLC-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N5/c7-2-1-5-4(3-8)6(9)11-10-5/h1H2,(H3,9,10,11)

Weigh it out

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

Names and synonyms

8 names
  • 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-
  • Pyrazole-3-acetonitrile, 5-amino-4-cyano-
  • 5-Amino-4-cyano-3-(cyanomethyl)pyrazole
  • 3-Amino-4-cyano-5-cyanomethylpyrazole
  • NSC 22478
  • 5-Amino-3-cyanomethyl-1H-pyrazole-4-carbonitrile
  • 3-Cyanomethyl-4-cyano-5-amino-1H-pyrazole
  • 3-Amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile

Work with 5-Amino-4-cyano-1H-pyrazole-3-acetonitrile

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-Amino-4-cyanopyrazole16617-46-233 % similar 4-Cyanophenylacetonitrile876-31-331 % similar Dicyclanil112636-83-630 % similar

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

Same formula

2-(1H-1,2,4-Triazol-5-yl)pyrazine130612-31-6 5-(4-Pyridyl)-1H-tetrazole14389-12-9 3-(2H-Tetrazol-5-yl)pyridine3250-74-6

Elsewhere

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