Basic information
- CAS
63480-43-3- Standard SMILES
Cc1cc(=O)n(-c2ccc(Cl)nn2)[nH]1- InChIKey
GLEZUMPZSBSIJX-UHFFFAOYSA-N- Molecular formula
- C8H7ClN4O
- Average molar mass
- 210.62 g/mol
- Monoisotopic mass
- 210.0308386
Names & identifiers
- Preferred name
- 1-(6-chloropyridazin-3-yl)-3-methyl-1H-pyrazol-5-ol
- IUPAC
- 2-(6-chloropyridazin-3-yl)-5-methyl-1H-pyrazol-3-one
Names & synonyms
63480-43-31-(6-chloropyridazin-3-yl)-3-methyl-1H-pyrazol-5-ol2-(6-Chloropyridazin-3-yl)-5-methyl-1H-pyrazol-3(2H)-one2-(6-Chloropyridazin-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one2-(6-CHLOROPYRIDAZIN-3-YL)-5-METHYL-1H-PYRAZOL-3-ONE70588-92-0SCHEMBL3121995SCHEMBL11454423DTXSID00502655GLEZUMPZSBSIJX-UHFFFAOYSA-NSZUZPJSZDBWCRJ-UHFFFAOYSA-NDTXSID101224733
Show more names
2-(6-chloro-pyridazin-3-yl)-5-methyl-1,2-dihydro-pyrazol-3-oneBBL032044MFCD11868241STK652111AKOS005582771VS-10940DB-301911CS-0331522
Database identifiers
- CAS
63480-43-3、70588-92-0- PubChem CID
- 12562829
- DTXSID
DTXSID00502655
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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