5-methyl-1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1424188-16-8- Standard SMILES
Cc1c(C(=O)O)cnn1C1CCOCC1- InChIKey
KURHRJDWCKRYDJ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Names & identifiers
- Preferred name
- 5-methyl-1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-methyl-1-(oxan-4-yl)pyrazole-4-carboxylic acid
Names & synonyms
1424188-16-85-methyl-1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acidRefChem:536854844-904-05-Methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid5-METHYL-1-(OXAN-4-YL)PYRAZOLE-4-CARBOXYLIC ACIDSCHEMBL22684184ZGC18816AKOS026728081DB-155435CS-0225204EN300-123109
Show more names
Z12299934515-methyl-1-tetrahydropyran-4-yl-pyrazole-4-carboxylic acid5-Methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
1424188-16-8- PubChem CID
- 71757701
- EC Number
- 844-904-0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
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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