1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-ol
Basic information
- CAS
1176499-81-2- Standard SMILES
Cc1cc(C)nc(-n2nc(C)c(O)c2C)n1- InChIKey
RSZMZDSRUOLQNG-UHFFFAOYSA-N- Molecular formula
- C11H14N4O
- Average molar mass
- 218.26 g/mol
- Monoisotopic mass
- 218.11676108
Names & identifiers
- Preferred name
- 1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-ol
- IUPAC
- 1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-ol
Names & synonyms
1176499-81-21-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-olRefChem:424180882-122-11-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-olBXB49981AKOS014893572G46439EN300-7427585Z1266827263
Database identifiers
- CAS
1176499-81-2- PubChem CID
- 39096504
- EC Number
- 882-122-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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