Basic information
- Standard SMILES
COC(=O)CC1=NN(C(C)(C)c2ccccc2)C(=O)C1- InChIKey
OCNZSPGADMHTSC-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
Names & identifiers
- Preferred name
- methyl 2-(5-oxo-1-(2-phenylpropan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)acetate
- IUPAC
- methyl 2-[5-oxo-1-(2-phenylpropan-2-yl)-4H-pyrazol-3-yl]acetate
Names & synonyms
SCHEMBL15261354OCNZSPGADMHTSC-UHFFFAOYSA-Nmethyl 2-(5-oxo-1-(2-phenylpropan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)acetate
Database identifiers
- PubChem CID
- 86697465
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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