3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
Basic information
- CAS
7598-94-9- Standard SMILES
CC(C)(C)C1=NNC(c2ccccc2)C1- InChIKey
CPGCPBFJIQPTAD-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
- IUPAC
- 3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole
Names & synonyms
3-tert-butyl-5-phenyl-4,5-dihydro-1H-pyrazole7598-94-9NSC405847DTXSID00324137NSC-405847
Database identifiers
- CAS
7598-94-9- PubChem CID
- 347272
- DTXSID
DTXSID00324137
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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