1,3-Dimethyl-1H-pyrazole-5-carbaldehyde

C6H8N2OCAS 25016-09-5124.14 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C6H8N2O
Molar mass
124.14 g/mol
Exact mass
124.0637 Da
logP
0.54Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
25016-09-5
SMILES
CC1=NN(C(=C1)C=O)C
InChIKey
JWYFGNVBKRJGTN-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3

Weigh it out

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Work with 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde

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

1,3,5-Trimethylpyrazole1072-91-950 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-147 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-347 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-747 % similar 1-Methyl-1H-pyrazole-5-carboxaldehyde27258-33-945 % similar 1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-843 % similar 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-843 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-943 % 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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