3-Chloro-2-(hydroxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
Basic information
- CAS
1382786-15-3- Standard SMILES
O=C1NCCn2nc(CO)c(Cl)c21- InChIKey
NYDDZYWOANJUJM-UHFFFAOYSA-N- Molecular formula
- C7H8ClN3O2
- Average molar mass
- 201.61 g/mol
- Monoisotopic mass
- 201.0305042
Names & identifiers
- Preferred name
- 3-Chloro-2-(hydroxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
- IUPAC
- 3-chloro-2-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
- English name
- 3-chloro-2-(hydroxyMethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
- Molecular formula
- C7H8ClN3O2
- Molecular weight
- 201.61
Names & synonyms
1382786-15-33-Chloro-2-(hydroxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one3-chloro-2-(hydroxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one3-chloro-2-hydroxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one3-chloro-6,7-dihydro-2-(hydroxymethyl)-Pyrazolo[1,5-a]pyrazin-4(5H)-oneSCHEMBL9941363NYDDZYWOANJUJM-UHFFFAOYSA-NDB-193880N13376Pyrazolo[1,5-a]pyrazin-4(5H)-one, 3-chloro-6,7-dihydro-2-(hydroxymethyl)-
Database identifiers
- CAS
1382786-15-3- PubChem CID
- 67976014
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 600.3 · 600.3±55.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…