3-(3-Iodophenyl)-1-phenyl-1H-pyrazol-5-amine
Basic information
- CAS
1017781-35-9- Standard SMILES
Nc1cc(-c2cccc(I)c2)nn1-c1ccccc1- InChIKey
BGBSKFFBYFTNEZ-UHFFFAOYSA-N- Molecular formula
- C15H12IN3
- Average molar mass
- 361.18 g/mol
- Monoisotopic mass
- 361.00759
Names & identifiers
- Preferred name
- 3-(3-Iodophenyl)-1-phenyl-1H-pyrazol-5-amine
- IUPAC
- 3-(3-iodophenyl)-1-phenylpyrazol-5-amine
- English name
- 5-(3-Iodo-phenyl)-2-phenyl-2H-pyrazol-3-ylamine
- Molecular formula
- C15H12IN3
- Molecular weight
- 361.18
Names & synonyms
1017781-35-93-(3-IODOPHENYL)-1-PHENYL-1H-PYRAZOL-5-AMINE5-(3-IODO-PHENYL)-2-PHENYL-2H-PYRAZOL-3-YLAMINE5-(3-iodophenyl)-2-phenylpyrazol-3-amineDTXSID50655867AKOS009335556AB26838DB-0586785-(3-Iodophenyl)-2-phenyl-2H-pyrazol-3-ylamine1H-Pyrazol-5-amine, 3-(3-iodophenyl)-1-phenyl-
Database identifiers
- CAS
1017781-35-9- PubChem CID
- 43336727
- DTXSID
DTXSID50655867
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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