5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

C₆H₇ClN₂OCAS 27006-76-4158.58 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₇ClN₂O
Molar mass: 158.58 g/mol
Exact mass: 158.0247 Da
logP: 1.19Crippen estimate
Polar surface area: 34.9 Å²
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

27006-76-4

SMILES

CC1=NN(C(=C1C=O)Cl)C

InChIKey

SZRSMNYUEXXEBL-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2O/c1-4-5(3-10)6(7)9(2)8-4/h3H,1-2H3

Weigh it out

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

Names and synonyms

1 names

5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde

Work with 5-Chloro-1,3-dimethyl-1H-pyrazole-4-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-Trimethyl-1H-pyrazole-4-carboxaldehyde2644-93-163 % similar 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde128455-62-957 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde947-95-554 % similar 5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole13551-73-046 % similar 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-138 % similar 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde25016-09-537 % similar 4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-936 % similar 3,5-Dimethyl-4-isoxazolecarbaldehyde54593-26-935 % similar

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

Same formula

1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-8 3-Amino-6-chloro-5-methoxy pyridine75711-01-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook