chempirical

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

C10H8N4CAS 5334-43-0184.20 g/mol

Open in Covalent MOL file
NNNNH2
NitrilePrimary amine

Properties

Molecular formula
C10H8N4
Molar mass
184.20 g/mol
Exact mass
184.0749 Da
Melting point
140 °C
logP
1.33Crippen estimate
Polar surface area
67.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
5334-43-0
SMILES
N#Cc1cnn(-c2ccccc2)c1N
InChIKey
MAKQREKUUHPPIS-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2

Weigh it out

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

Names and synonyms

9 names
  • 1H-Pyrazole-4-carbonitrile, 5-amino-1-phenyl-
  • Pyrazole-4-carbonitrile, 5-amino-1-phenyl-
  • 5-Amino-4-cyano-1-phenylpyrazole
  • 5-Amino-1-phenyl-4-pyrazolecarbonitrile
  • MB 3670
  • M And B 36701
  • NSC 1414
  • 1-Phenyl-4-cyano-5-aminopyrazole
  • 5-Amino-4-cyano-1-phenyl-1H-pyrazole

Work with 5-Amino-1-phenyl-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-(p-tolyl)pyrazole-4-carbonitrile103646-82-872 % similar 5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile51516-70-272 % similar 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile5334-41-853 % similar 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile7152-40-145 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-042 % similar Chloridazon1698-60-839 % similar 2-Aminobenzonitrile1885-29-637 % similar Phthalonitrile91-15-635 % similar

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

Same formula

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile112809-25-3

Elsewhere

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