3-(4-Butoxyphenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
Basic information
- CAS
60627-77-2- Standard SMILES
CCCCOc1ccc(-c2nn(C)c(-c3ccccc3)c2OCCC)cc1- InChIKey
UQXPTBUZTWSMJX-UHFFFAOYSA-N- Molecular formula
- C23H28N2O2
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.21507814
Names & identifiers
- Preferred name
- 3-(4-Butoxyphenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
- IUPAC
- 3-(4-butoxyphenyl)-1-methyl-5-phenyl-4-propoxypyrazole
Names & synonyms
60627-77-2DTXSID708218003-(4-Butoxyphenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
Database identifiers
- CAS
60627-77-2- PubChem CID
- 71400529
- DTXSID
DTXSID70821800
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 405
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Compound notes
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