4-[(Butan-2-yl)oxy]-1-methyl-3,5-diphenyl-1H-pyrazole
Basic information
- CAS
60627-52-3- Standard SMILES
CCC(C)Oc1c(-c2ccccc2)nn(C)c1-c1ccccc1- InChIKey
BAMGZBZYCNEPFP-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- 4-[(Butan-2-yl)oxy]-1-methyl-3,5-diphenyl-1H-pyrazole
- IUPAC
- 4-butan-2-yloxy-1-methyl-3,5-diphenylpyrazole
Names & synonyms
60627-52-34-[(Butan-2-yl)oxy]-1-methyl-3,5-diphenyl-1H-pyrazoleDTXSID40821817
Database identifiers
- CAS
60627-52-3- PubChem CID
- 71400546
- DTXSID
DTXSID40821817
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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