Basic information
- CAS
28019-94-5- Standard SMILES
CC1C=NNC1C- InChIKey
SOAGQMUXRXXXPM-UHFFFAOYSA-N- Molecular formula
- C5H10N2
- Average molar mass
- 98.15 g/mol
- Monoisotopic mass
- 98.08439833
Names & identifiers
- Preferred name
- 1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-
- IUPAC
- 4,5-dimethyl-4,5-dihydro-1H-pyrazole
- English name
- 4,5-Dihydro-4,5-dimethyl-1H-pyrazole
- Molecular formula
- C5H10N2
- Molecular weight
- 98.15
Names & synonyms
1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-4,5-Dimethyl-4,5-dihydro-1H-pyrazole4,5-Dimethyl-2-pyrazoline4,5-Dimethyl-.DELTA.[2]-pyrazolineSCHEMBL10528450DTXSID90339735SOAGQMUXRXXXPM-UHFFFAOYSA-N28019-94-54,5-Dihydro-4,5-dimethyl- 1H-pyrazol4,5-Dihydro-4,5-dimethyl-1H-pyrazole
Database identifiers
- CAS
28019-94-5- PubChem CID
- 558148
- DTXSID
DTXSID90339735- Nikkaji
- J47.758C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.1
Physicochemical properties
- Boiling point
- 82.9 · 82.9-83.1 °C(Press: 41.5 Torr)
- Density
- 0.9405 g/cm3 · 0.9405 g/cm3
- pka
- 4.69 · 4.69±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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