Basic information
- CAS
1001500-03-3- Standard SMILES
CCn1cc(C(=O)C=CN(C)C)c(C)n1- InChIKey
XJIUOXZLQFETNG-UHFFFAOYSA-N- Molecular formula
- C11H17N3O
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.13716217
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one
- IUPAC
- 3-(dimethylamino)-1-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one
Names & synonyms
1001500-03-33-(dimethylamino)-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-oneDTXSID001156185AKOS0302542073-(Dimethylamino)-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-propen-1-one3-(dimethylamino)-1-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one
Database identifiers
- CAS
1001500-03-3- PubChem CID
- 7017484
- DTXSID
DTXSID001156185
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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