5-chloro-3-methyl-1-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
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Basic information
- CAS
1152576-64-1- Standard SMILES
Cc1cccc(-n2nc(C)c(C=O)c2Cl)c1- InChIKey
AAMDRNQYVNYYJA-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0559907
Names & identifiers
- Preferred name
- 5-chloro-3-methyl-1-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-chloro-3-methyl-1-(3-methylphenyl)pyrazole-4-carbaldehyde
- English name
- 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-Methyl-1-(3-Methylphenyl)
- Molecular formula
- C12H11ClN2O
- Molecular weight
- 234.68
Names & synonyms
1152576-64-15-chloro-3-methyl-1-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-(3-methylphenyl)5-chloro-3-methyl-1-(3-methylphenyl)pyrazole-4-carbaldehydeSCHEMBL2563212SBB079240AKOS005169840CS-0222308ST51079148EN300-110806G419855-chloro-3-methyl-1-(m-tolyl)pyrazole-4-carbaldehyde
Show more names
Z381556220
Database identifiers
- CAS
1152576-64-1- PubChem CID
- 43145606
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
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Compound notes
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