chempirical

5-Amino-1-methyl-1H-pyrazole-4-carbonitrile

C5H6N4CAS 5334-41-8122.13 g/mol

Open in Covalent MOL file
NNNNH2
NitrilePrimary amine

Properties

Molecular formula
C5H6N4
Molar mass
122.13 g/mol
Exact mass
122.0592 Da
Melting point
222–223 °C
logP
-0.13Crippen estimate
Polar surface area
67.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
5334-41-8
SMILES
Cn1ncc(C#N)c1N
InChIKey
MZFBWODPTSTYAI-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N4/c1-9-5(7)4(2-6)3-8-9/h3H,7H2,1H3

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Names and synonyms

9 names
  • 1H-Pyrazole-4-carbonitrile, 5-amino-1-methyl-
  • Pyrazole-4-carbonitrile, 5-amino-1-methyl-
  • 5-Amino-1-methyl-4-cyanopyrazole
  • 5-Amino-4-cyano-1-methylpyrazole
  • 1-Methyl-4-cyano-5-aminopyrazole
  • 5-Amino-4-cyano-1-methyl-1H-pyrazole
  • NSC 102022
  • NSC 1412
  • 5-Amino-1-methylpyrazole-4-carbonitrile

Work with 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile

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

5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5334-43-053 % similar 5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile103646-82-851 % similar 4-Bromo-1-methyl-1H-pyrazol-5-amine105675-85-248 % similar 5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile51516-70-248 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-134 % similar 1-Methyl-1H-indazol-6-amine74728-65-733 % similar 2-Aminobenzonitrile1885-29-632 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-932 % similar

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

Elsewhere

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