1-Ethyl-1H-pyrazole-4-carboxaldehyde

C₆H₈N₂OCAS 304903-10-4124.14 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₆H₈N₂O
Molar mass: 124.14 g/mol
Exact mass: 124.0637 Da
Boiling point: 46–48 °C (at 5 Torr)
logP: 0.72Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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

304903-10-4

SMILES

CCn1cc(C=O)cn1

InChIKey

UMSDESWKSPAALM-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O/c1-2-8-4-6(5-9)3-7-8/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names

1H-Pyrazole-4-carboxaldehyde, 1-ethyl-
1-Ethylpyrazole-4-carboxaldehyde
1-Ethylpyrazole-4-carbaldehyde
1-Ethyl-1H-pyrazole-4-carbaldehyde

Work with 1-Ethyl-1H-pyrazole-4-carboxaldehyde

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-Benzyl-1H-pyrazole-4-carbaldehyde63874-95-357 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-952 % similar 1-Ethyl-1H-pyrazol-4-amine876343-24-750 % similar 1-Phenyl-1H-pyrazole-4-carbaldehyde54605-72-049 % similar 1-Ethylpyrazole-4-boronic acid pinacol ester847818-70-640 % similar Pyrimidine-5-carboxaldehyde10070-92-535 % similar 4-Ethylbenzaldehyde4748-78-135 % similar 9-Ethyl-3-carbazolecarboxaldehyde7570-45-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-methoxypyridine10167-97-2 2-Amino-4-methoxypyridine10201-73-7 (2-Aminopyridin-4-yl)methanol105250-17-7 2-Hydroxy-4,6-dimethylpyrimidine108-79-2 (6-Amino-3-pyridinyl)methanol113293-71-3 4-Aminopyridine-3-methanol138116-34-4 Bis(2-cyanoethyl) ether1656-48-0 2-Amino-6-methoxypyridine17920-35-3

Elsewhere

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