5-ethyl-1-methyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1007541-96-9- Standard SMILES
CCc1c(C(=O)O)cnn1C- InChIKey
ODCIFLVGQRRDGE-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 5-ethyl-1-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-ethyl-1-methylpyrazole-4-carboxylic acid
Names & synonyms
5-ethyl-1-methyl-1H-pyrazole-4-carboxylic acid1007541-96-9RefChem:535475829-072-95-ethyl-1-methylpyrazole-4-carboxylic acidMFCD08700652SCHEMBL4757065HQB54196AKOS003673002DB-169008CS-0248748EN300-41251
Show more names
5-ethyl-1-methyl-1H-pyrazole-4-carboxylicacidG58832F663375
Database identifiers
- CAS
1007541-96-9- PubChem CID
- 23005672
- EC Number
- 829-072-9
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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