1-Isopropyl-5-methyl-1H-pyrazole-4-carbaldehyde
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Basic information
- CAS
1006495-89-1- Standard SMILES
Cc1c(C=O)cnn1C(C)C- InChIKey
VASBESOFIPVIIQ-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
Names & identifiers
- Preferred name
- 1-Isopropyl-5-methyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-methyl-1-propan-2-ylpyrazole-4-carbaldehyde
- English name
- 1-isopropyl-5-methyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
1006495-89-11-ISOPROPYL-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDEMFCD068054535-methyl-1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde1-isopropyl-5-methyl-pyrazole-4-carbaldehyde5-methyl-1-propan-2-ylpyrazole-4-carbaldehyde5-methyl-1-(methylethyl)pyrazole-4-carbaldehydeSCHEMBL4034686VASBESOFIPVIIQ-UHFFFAOYSA-NGQB49589SBB033725STL414506
Show more names
1H-Pyrazole-4-carboxaldehyde, 5-methyl-1-(1-methylethyl)-
AKOS000309415SY086980DB-391081CS-0235323ST45136422EN300-155263G45832Z826536300
Database identifiers
- CAS
1006495-89-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 243.6 · 243.6±20.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 0.79 · 0.79±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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