Basic information
- CAS
7598-93-8- Standard SMILES
COC1C=NNC1- InChIKey
HHOREVJMKRJWHY-UHFFFAOYSA-N- Molecular formula
- C4H8N2O
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.06366288
Names & identifiers
- Preferred name
- 4-methoxy-4,5-dihydro-1H-pyrazole
- IUPAC
- 4-methoxy-4,5-dihydro-1H-pyrazole
Names & synonyms
7598-93-8NSC 4058464-methoxy-4,5-dihydro-1H-pyrazoleNSC405846SCHEMBL2037983SCHEMBL2037984SCHEMBL2041570SCHEMBL2044711DTXSID40324136NSC-405846
Database identifiers
- CAS
7598-93-8- PubChem CID
- 347271
- DTXSID
DTXSID40324136
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 81.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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