1-Ethyl-1H-pyrazol-4-amine

C₅H₉N₃CAS 876343-24-7111.15 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: 0.49Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

876343-24-7

SMILES

CCN1C=C(C=N1)N

InChIKey

HENLKZLWIDJRSC-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N3/c1-2-8-4-5(6)3-7-8/h3-4H,2,6H2,1H3

Weigh it out

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Work with 1-Ethyl-1H-pyrazol-4-amine

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-Ethyl-1H-pyrazole-4-carboxaldehyde304903-10-450 % similar 1-Methyl-1H-pyrazol-4-ylamine69843-13-648 % similar 1-Ethylpyrazole-4-boronic acid pinacol ester847818-70-642 % similar 1-Ethylpyrazole2817-71-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pyrazol-1-ylethylamin101395-71-5 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

Elsewhere

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