chempirical

2-Pyrazol-1-ylethylamin

C5H9N3CAS 101395-71-5111.15 g/mol

Open in Covalent MOL file
NNNH2
Primary amine

Properties

Molecular formula
C5H9N3
Molar mass
111.15 g/mol
Exact mass
111.0796 Da
logP
-0.16Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
101395-71-5
SMILES
C1=CN(N=C1)CCN
InChIKey
UIWDESVQLUNCRV-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5-6H2

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Names and synonyms

1 names
  • 2-(1H-Pyrazol-1-yl)ethan-1-amine

Work with 2-Pyrazol-1-ylethylamin

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

1H-Imidazole-1-propanamine5036-48-634 % similar 1-Methyl-1H-pyrazole930-36-933 % similar 2-Methyl-1H-imidazole-1-propanamine2258-21-131 % similar 1-Isopropyl-1H-pyrazole18952-87-930 % similar

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

Same formula

1,3-Dimethyl-1H-pyrazol-5-amine3524-32-1 5-Amino-1-ethylpyrazole3528-58-3 Histamine51-45-6

Elsewhere

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