Basic information
- CAS
96974-48-0- Standard SMILES
CCC(C)c1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
CYGFOANTEHDZLD-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- Antipyrine, 4-sec-butyl-
- IUPAC
- 4-butan-2-yl-1,5-dimethyl-2-phenylpyrazol-3-one
Names & synonyms
ANTIPYRINE, 4-sec-BUTYL-96974-48-0RefChem:10771194-sec-ButylantipyrineBRN 02180621-Phenyl-2,3-dimethyl-4-sec-butyl-5-pyrazolon3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylpropyl)-2-phenyl-4-24-00-00148 (Beilstein Handbook Reference)SCHEMBL18084405DTXSID009142394-(Butan-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
96974-48-0- PubChem CID
- 57151
- DTXSID
DTXSID00914239
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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