4-Propan-2-yl-3,4-dihydropyrazole-5,5-dicarbonitrile
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Basic information
- CAS
22150-65-8- Standard SMILES
CC(C)C1CN=NC1(C#N)C#N- InChIKey
QWBPRAQDQNLTIV-UHFFFAOYSA-N- Molecular formula
- C8H10N4
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.09054634
Names & identifiers
- Preferred name
- 4-Propan-2-yl-3,4-dihydropyrazole-5,5-dicarbonitrile
- IUPAC
- 4-propan-2-yl-3,4-dihydropyrazole-5,5-dicarbonitrile
- English name
- 3H-Pyrazole-3,3-dicarbonitrile,4,5-dihydro-4-(1-methylethyl)-(9CI)
- Molecular formula
- C8H10N4
- Molecular weight
- 162.19
Names & synonyms
3H-Pyrazole-3,3-dicarbonitrile, 4,5-dihydro-4-(1-methylethyl)-3H-Pyrazole-3,3-dicarbonitrile,4,5-dihydro-4-(1-methylethyl)-(9CI)
Database identifiers
- CAS
22150-65-8- PubChem CID
- 45096185
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 320.4 · 320.4±42.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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