Chemical Properties of 3-Amino-4-pyrazolecarbonitrile (CAS 16617-46-2)

3-Amino-4-pyrazolecarbonitrile

InChI
InChI=1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
InChI Key
FFNKBQRKZRMYCL-UHFFFAOYSA-N
Formula
C4H4N4
SMILES
N#Cc1c[nH]nc1N
Molecular Weight1
108.10
CAS
16617-46-2
Other Names
  • 5-Amino-4-cyanopyrazole
  • 3-Amino-4-cyanopyrazole
  • 5-Amino-4-pyrazolecarbonitrile
  • 1H-Pyrazole-4-carbonitrile, 3-amino-
  • Pyrazole-4-carbonitrile, 3-amino-
  • 3-Amino-1H-pyrazole-4-carbonitrile
  • 3-Aminopyrazole-4-carbonitrile
  • 3-Aminopyrazole-4-nitrile
  • NSC 44932
  • 3-Amino-4-cyano-1H-pyrazole
  • 5-aminopyrazole-4-carbonitrile
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Physical Properties

Property Value Unit Source
ω 0.5156 Relay (1.0) Calculated Property
ΔfG° 332.16 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 274.96 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 78.30 kJ/mol Relay (1.0) Calculated Property
IE 9.05 eV Relay (1.0) Calculated Property
log10WS -0.80 Relay (1.0) Calculated Property
logPoct/wat -0.618 Crippen Calculated Property
McVol 79.080 ml/mol McGowan Calculated Property
Pc 5126.49 kPa Relay (1.0-beta) Calculated Property
Tboil 593.70 K Relay (1.0) Calculated Property
Tc 853.42 K Relay (1.0) Calculated Property
Tfus 501.86 K Relay (1.0) Calculated Property
Vc 0.295 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3-Amino-4-carbethoxypyrazole. 4-Pyrazolecarboxylic acid, 5-amino-, methyl ester. 5-Amino-4-cyano-1-phenylpyrazole. Ethyl 5-amino-1-methylpyrazole-4-carboxylate. 5-methylcytosine. 3-Amino-5-tert-butylpyrazole. 5-Amino-1-phenylpyrazole-4-carboxamide. Ethyl 3-amino-2-phenylpyrazole-4-carboxylate. 3-Amino-4-bromopyrazole. 3-Amino-5-(2-furyl)pyrazole. o-Aminobenzoic acid, N-isoBOC TBDMS. Avenaciolide, 6-[2-(3-bromophenyl)ethyl]-4-demethylene. Lactosucrose: bD-Galp(1->4)-aDGlcp(1->2)-bFru, oxime-TMS. Maltulose-1, TMS («beta»-furanose). 5-Amino-3-phenylpyrazole.

Find more compounds similar to 3-Amino-4-pyrazolecarbonitrile.

Sources

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