1-[3-[5-(2-oxopropyl)-1H-pyrazol-3-yl]-1H-pyrazol-5-yl]propan-2-one
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Basic information
- Standard SMILES
CC(=O)Cc1cc(-c2cc(CC(C)=O)[nH]n2)n[nH]1- InChIKey
OOTVDZKICAQYOF-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2
- Average molar mass
- 246.27 g/mol
- Monoisotopic mass
- 246.1116757
Names & identifiers
- Preferred name
- 1-[3-[5-(2-oxopropyl)-1H-pyrazol-3-yl]-1H-pyrazol-5-yl]propan-2-one
- IUPAC
- 1-[3-[5-(2-oxopropyl)-1H-pyrazol-3-yl]-1H-pyrazol-5-yl]propan-2-one
Names & synonyms
NSC371853NSC-371853
Database identifiers
- PubChem CID
- 340772
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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