2-Pyrazol-1-ylethylamin

C₅H₉N₃CAS 101395-71-5111.15 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

Weigh it out

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

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

1-Ethylpyrazole2817-71-250 % similar 4-(1H-Pyrazol-1-ylmethyl)aniline142335-61-342 % similar 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

5-Amino-3-ethyl-1H-pyrazole1904-24-1 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-1 5-Amino-1-ethylpyrazole3528-58-3 (1-Methyl-1H-imidazol-4-yl)methanamine486414-83-9 1-Methyl-5-aminomethylimidazole486414-86-2 Histamine51-45-6 1,3-Dimethyl-1H-pyrazol-4-amine64517-88-0 1-Ethyl-1H-pyrazol-4-amine876343-24-7

Elsewhere

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