3-amino-5-imino-1,5-dihydro-4H-pyrazol-4-one (3-fluorophenyl)hydrazone
Basic information
- CAS
312276-08-7- Standard SMILES
Nc1n[nH]c(N)c1N=Nc1cccc(F)c1- InChIKey
IIMNZOCCIUNMSH-UHFFFAOYSA-N- Molecular formula
- C9H9FN6
- Average molar mass
- 220.21 g/mol
- Monoisotopic mass
- 220.08727247
Names & identifiers
- Preferred name
- 3-amino-5-imino-1,5-dihydro-4H-pyrazol-4-one (3-fluorophenyl)hydrazone
- IUPAC
- 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
Names & synonyms
MLS0007026273-amino-5-imino-1,5-dihydro-4H-pyrazol-4-one (3-fluorophenyl)hydrazoneSMR000227104CBMicro_025443SCHEMBL9220864-[(3-fluorophenyl)hydrazinylidene]pyrazole-3,5-diamineCHEMBL1401643CHEMBL5205536SCHEMBL26512340SCHEMBL26512521BDBM60065cid_5287185
Show more names
DTXSID50971170STGCPPGWZZDGKI-UHFFFAOYSA-NCCG-12407STK674133AKOS001703469BIM-0025324.P001AK-968/112831993,5-Diamino-4-[(3-Fluorophenyl)Hydrazono]Pyrazole
Database identifiers
- CAS
312276-08-7- PubChem CID
- 694534
- DTXSID
DTXSID50971170- ChEMBL
CHEMBL1401643、CHEMBL5205536
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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