1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde

C7H10N2OCAS 2644-93-1138.17 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C7H10N2O
Molar mass
138.17 g/mol
Exact mass
138.0793 Da
logP
0.85Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
2644-93-1
SMILES
CC1=C(C(=NN1C)C)C=O
InChIKey
HMTUBXVXHHITGO-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3

Weigh it out

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Work with 1,3,5-Trimethyl-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

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde27006-76-463 % similar 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-151 % similar 4-Bromo-1,3,5-trimethylpyrazole15801-69-148 % similar 1,3,5-Trimethyl-1H-pyrazol-4-amine28466-21-947 % similar 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-144 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-743 % similar 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde25016-09-539 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde947-95-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-1,2-phenylenediamine102-51-2 β-Oxo-1-pyrrolidinepropanenitrile14227-95-3 4-Ethoxy-3-pyridinamine1633-43-8 3-Amino-2-methoxy-6-picoline186413-79-6 2-Ethyl-3-methoxypyrazine25680-58-4 2-(Methylamino)-3-pyridinemethanol32399-12-5 2-Ethoxy-3-methylpyrazine32737-14-7 6-Ethoxypyridin-3-amine52025-34-0

Elsewhere

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