chempirical

1-Ethylpyrazole

C5H8N2CAS 2817-71-296.13 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C5H8N2
Molar mass
96.13 g/mol
Exact mass
96.0687 Da
logP
0.90Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
2817-71-2
SMILES
CCN1C=CC=N1
InChIKey
FLNMQGISZVYIIK-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3

Weigh it out

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

Work with 1-Ethylpyrazole

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

2-Pyrazol-1-ylethylamin101395-71-550 % similar 1-Ethyl-1H-pyrrole617-92-543 % similar 1-Ethylimidazole7098-07-941 % similar 1-Methyl-1H-pyrazole930-36-940 % similar 4-(1H-Pyrazol-1-ylmethyl)aniline142335-61-339 % similar 1-Isopropyl-1H-pyrazole18952-87-936 % similar 1-Ethyl-1H-pyrazol-4-amine876343-24-735 % similar 1-Ethyl-1H-pyrazole-4-carboxaldehyde304903-10-433 % similar

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

Same formula

2-Ethylimidazole1072-62-4 1,4-Dimethylpyrazole1072-68-0 1-Pyrrolidinecarbonitrile1530-88-7 1,2-Dimethylimidazole1739-84-0 3,4-Dimethylpyrazole2820-37-3 3,5-Dimethylpyrazole67-51-6 1,5-Dimethylpyrazole694-31-5 1,3-Dimethylpyrazole694-48-4

Elsewhere

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