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Basic information
- CAS
1567-86-8- Standard SMILES
CC(=O)N1N=CCC1C- InChIKey
OCWXOGXJJRUONL-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931294
Names & identifiers
- Preferred name
- 1-(5-Methyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
- IUPAC
- 1-(3-methyl-3,4-dihydropyrazol-2-yl)ethanone
Names & synonyms
1567-86-81-(5-Methyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-oneSCHEMBL109395481-Acetyl-5-methyl-2-pyrazolineDTXSID70549991OCWXOGXJJRUONL-UHFFFAOYSA-NAKOS022079139
Database identifiers
- CAS
1567-86-8- PubChem CID
- 13804530
- DTXSID
DTXSID70549991
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 153
Related reactions
1 records
Compound notes
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