1-Methyl-1H-pyrazole-5-carboxaldehyde

C₅H₆N₂OCAS 27258-33-9110.12 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₅H₆N₂O
Molar mass: 110.12 g/mol
Exact mass: 110.0480 Da
logP: 0.23Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed93.3% of notifiers
H315 Causes skin irritation97.8% of notifiers
H317 May cause an allergic skin reaction88.9% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27258-33-9

SMILES

Cn1nccc1C=O

InChIKey

RAJRANFZSWDUJZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O/c1-7-5(4-8)2-3-6-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

1H-Pyrazole-5-carboxaldehyde, 1-methyl-
Pyrazole-5-carboxaldehyde, 1-methyl-
1-Methylpyrazole-5-carboxaldehyde
1-Methyl-1H-pyrazole-5-carbaldehyde
2-Methyl-2H-pyrazole-3-carbaldehyde
2-Methylpyrazole-3-carbaldehyde

Work with 1-Methyl-1H-pyrazole-5-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

1,3-Dimethyl-1H-pyrazole-5-carbaldehyde25016-09-545 % similar 1,5-Dimethylpyrazole694-31-545 % similar 1-Methyl-1H-pyrazol-5-amine1192-21-843 % similar 1-Methyl-1H-pyrazol-5-ol33641-15-543 % similar 5-Iodo-1-methyl-1H-pyrazole34091-51-543 % similar 1H-Pyrazole,5-bromo-1-methyl-(9ci)361476-01-943 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-142 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methylpyridazin-3(2H)-one13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

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