5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
Basic information
- CAS
392312-77-5- Standard SMILES
Fc1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1- InChIKey
ZKLZMWSHSFDQMJ-UHFFFAOYSA-N- Molecular formula
- C16H11FN6
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10292254
Names & identifiers
- Preferred name
- 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
- IUPAC
- 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole
- English name
- 5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
- Molecular formula
- C16H11FN6
- Molecular weight
- 306.2971432
Names & synonyms
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazoleOprea1_877035HMS1664J22AKOS024356346ST50984102AG-401/369620095-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyltetrazole5-[5-(3-fluorophenyl)pyrazol-4-yl]-1-phenyl-1,2,3,4-tetraazole
Database identifiers
- CAS
392312-77-5- PubChem CID
- 2818187
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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