4-Chloro-1-methyl-1H-pyrazole-3-carboxaldehyde

C₅H₅ClN₂OCAS 175204-81-6144.56 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₅ClN₂O
Molar mass: 144.56 g/mol
Exact mass: 144.0090 Da
logP: 0.89Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

175204-81-6

SMILES

Cn1cc(Cl)c(C=O)n1

InChIKey

MLGDASSMRFJUMZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClN2O/c1-8-2-4(6)5(3-9)7-8/h2-3H,1H3

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

Names and synonyms

2 names

1H-Pyrazole-3-carboxaldehyde, 4-chloro-1-methyl-
4-Chloro-1-methylpyrazole-3-carboxaldehyde

Work with 4-Chloro-1-methyl-1H-pyrazole-3-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-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-941 % similar 3-Chloro-pyrazine-2-carbaldehyde121246-96-634 % similar 2,6-Dichlorobenzaldehyde83-38-533 % similar 4-Chloropyridine-3-carboxaldehyde114077-82-632 % similar 2-Chloro-6-methylbenzaldehyde1194-64-532 % similar 2-Chlorobenzaldehyde89-98-531 % similar 4,6-Dichloropyridine-3-carbaldehyde1060811-62-231 % similar 2,3,6-Trichlorobenzaldehyde4659-47-631 % similar

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

Same formula

3-Chloro-5-methoxypyridazine123696-02-6 3-Chloro-6-methoxypyridazine1722-10-7 2-Chloro-4-methoxypyrimidine22536-63-6 2-Chloro-5-methoxypyrimidine22536-65-8 4-Chloro-6-methoxypyrimidine26452-81-3 2-Chloro-6-methoxypyrazine33332-30-8 4-Chloro-5-methoxypyrimidine695-85-2

Elsewhere

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