Basic information
- CAS
201735-20-8- Standard SMILES
Nc1n[nH]c(-c2ccc(Br)cc2)c1Br- InChIKey
HGVFCYLAEFBKOV-UHFFFAOYSA-N- Molecular formula
- C9H7Br2N3
- Average molar mass
- 316.98 g/mol
- Monoisotopic mass
- 314.90067
Names & identifiers
- Preferred name
- 4-bromo-3-(4-bromophenyl)-1H-pyrazol-5-amine
- IUPAC
- 4-bromo-5-(4-bromophenyl)-1H-pyrazol-3-amine
Names & synonyms
4-bromo-3-(4-bromophenyl)-1H-pyrazol-5-amine201735-20-84-bromo-5-(4-bromophenyl)-1H-pyrazol-3-amine1H-Pyrazol-3-amine, 4-bromo-5-(4-bromophenyl)-DTXSID001259038SR-01000326182SR-01000326182-1
Database identifiers
- CAS
201735-20-8- PubChem CID
- 793402
- DTXSID
DTXSID001259038
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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