chempirical

3-Amino-4-cyanopyrazole

C4H4N4CAS 16617-46-2108.10 g/mol

Open in Covalent MOL file
NNHNHHN
Nitrile

Properties

Molecular formula
C4H4N4
Molar mass
108.10 g/mol
Exact mass
108.0436 Da
Melting point
174–175 °C
logP
-0.31Crippen estimate
Polar surface area
79.2 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
0

Identifiers

CAS number
16617-46-2
SMILES
N#Cc1c[nH][nH]c1=N
InChIKey
FFNKBQRKZRMYCL-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)

Weigh it out

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

Names and synonyms

14 names · show all
  • 1H-Pyrazole-4-carbonitrile, 3-amino-
  • Pyrazole-4-carbonitrile, 3-amino-
  • Pyrazole-4-carbonitrile, 3(or 5)-amino-
  • 3-Amino-1H-pyrazole-4-carbonitrile
  • 5-Amino-4-cyanopyrazole
  • 3-Amino-4-pyrazolecarbonitrile
  • 5-Amino-4-pyrazolecarbonitrile
  • 3-Aminopyrazol-4-carbonitrile
  • NSC 44932
  • (4-Cyano-1H-pyrazol-3-yl)amine
  • 3-Amino-4-cyano-1H-pyrazole
  • 5-Amino-1H-pyrazole-4-carbonitrile
  • 5-Amino-4-cyano-1H-pyrazole
  • 4-Cyano-3-aminopyrazole

Work with 3-Amino-4-cyanopyrazole

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-Amino-5-cyanopyrimidine16357-69-038 % similar 2-Amino-5-cyanopyridine4214-73-736 % similar 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-336 % similar 1,2,4,5-Benzenetetracarbonitrile712-74-336 % similar 4-Amino-2-bromo-5-pyrimidinecarbonitrile94741-70-535 % similar Phthalonitrile91-15-635 % similar 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-634 % similar 5-Amino-4-cyano-1H-pyrazole-3-acetonitrile54711-21-633 % similar

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

Same formula

Diaminomaleonitrile1187-42-4 4-Amino-5-cyanoimidazole5098-11-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook