1-Cyclopropyl-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
Basic information
- CAS
512815-45-1- Standard SMILES
CCn1ncc(C=CC(=O)C2CC2)c1C- InChIKey
CDAAKQQEWULYJM-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopropyl-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
- IUPAC
- 1-cyclopropyl-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
- English name
- 2-Propen-1-one,1-cyclopropyl-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-(9CI)
- Molecular formula
- C12H16N2O
- Molecular weight
- 204.27
Names & synonyms
2-Propen-1-one, 1-cyclopropyl-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2-Propen-1-one,1-cyclopropyl-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-(9CI)
Database identifiers
- CAS
512815-45-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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