1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one
Basic information
- CAS
3201-28-3- Standard SMILES
Cc1cc(=O)[nH]n1C- InChIKey
ZITWSNQLWBKRBT-UHFFFAOYSA-N- Molecular formula
- C5H8N2O
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.06366288
Names & identifiers
- Preferred name
- 1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one
- IUPAC
- 2,3-dimethyl-1H-pyrazol-5-one
- English name
- 2,3-Dimethyl-3-pyrazolin-5-one
- Molecular formula
- C5H8N2O
- Molecular weight
- 112.13
Names & synonyms
1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-oneRefChem:417266819-301-03201-28-32,3-Dimethyl-3-pyrazolin-5-one1,5-Dimethyl-1H-pyrazol-3(2H)-one2,3-dimethyl-1H-pyrazol-5-oneMFCD005187442,3-dimethyl-5-pyrazolone1,5-dimethyl-1,2-dihydro-pyrazol-3-one1,5-Dimethyl-1,2-dihydro-3H-pyrazol-3-one1,5-dimethyl-1h-pyrazol-3-ol
Show more names
1,5-dimethyl-3-hydroxypyrazole3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-1,5-Dimethyl-2,3-dihydro-1h-pyrazol-3-one - [D94610]
Dimethylpyrazolon (DP)SCHEMBL173200SCHEMBL995217SCHEMBL3262151SCHEMBL6962887SCHEMBL10954088SCHEMBL17796278SCHEMBL28180840
Database identifiers
- CAS
3201-28-3- PubChem CID
- 574489
- DTXSID
DTXSID00341622- EC Number
- 819-301-0
- Nikkaji
- J982.454E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 230 · 230-245 °C(Press: 60 Torr)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 9.03 · 9.03±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1,5-Dimethyl-2,3-dihydro-1H-pyrazol-3-one can be useful in the prepartaion of pyridinyl pyrrolidines as factor Xa inhibitors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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