chempirical

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

C5H5ClN2OCAS 175204-81-6144.56 g/mol

Open in Covalent MOL file
NClON
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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Names and synonyms

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

Work with 4-Chloro-1-methyl-1H-pyrazole-3-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-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-941 % similar 6-Chloro-2-methyl-2H-indazol-5-amine1893125-36-437 % similar 3,5-Dichloro-4-formyl pyridine136590-83-535 % similar 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-935 % similar 3-Chloro-pyrazine-2-carbaldehyde121246-96-634 % similar 2,6-Dichlorobenzaldehyde83-38-533 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde27006-76-433 % similar 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-832 % 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 6-Chloro-4-methyl-2H-pyridazin-3-one1834-27-1 2-Chloro-4-methoxypyrimidine22536-63-6 2-Chloro-5-methoxypyrimidine22536-65-8 4-Chloro-6-methoxypyrimidine26452-81-3 2-Chloro-6-methoxypyrazine33332-30-8 2-Amino-3-hydroxy-5-chloropyridine40966-87-8

Elsewhere

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