4,4'-Methylenedipyrazole
Basic information
- CAS
13753-57-6- Standard SMILES
c1n[nH]cc1Cc1cn[nH]c1- InChIKey
VZOORPIHUVKFKA-UHFFFAOYSA-N- Molecular formula
- C7H8N4
- Average molar mass
- 148.17 g/mol
- Monoisotopic mass
- 148.07489627
Names & identifiers
- Preferred name
- 4,4'-Methylenedipyrazole
- IUPAC
- 4-(1H-pyrazol-4-ylmethyl)-1H-pyrazole
- English name
- 4,4''-Dipyrazolylmethane
- Molecular formula
- C7H8N4
- Molecular weight
- 148.17
Names & synonyms
4,4'-Methylenedipyrazole13753-57-6Di(1H-pyrazol-4-yl)methane1H-Pyrazole, 4,4'-methylenebis-4,4'-dipyrazolylmethane4-(1H-pyrazol-4-ylmethyl)-1H-pyrazoleorb3215713SCHEMBL141310074,4'-Methylenedi(1H-pyrazole)DTXSID709298154,4'-Methylenebis[1H-pyrazole]; 4,4'-Methylenedipyrazole;4,4''-Dipyrazolylmethane
Database identifiers
- CAS
13753-57-6- PubChem CID
- 164433
- DTXSID
DTXSID70929815- Nikkaji
- J583.745F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 191 °C · 191 °C
- Boiling point
- 437 · 437.0±25.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.50(Predicted)
Chemistry & industry
Applications
Uses4,4''-Dipyrazolylmethane is used a bridging ligand in the preparation of monobridged-dinuclear Pt(II) complexes for use as potential anticancer agents.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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