5-phenyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1308236-66-9- Standard SMILES
CC(C)n1ncc(C(=O)O)c1-c1ccccc1- InChIKey
WZOJXPDBRDXLHM-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 5-phenyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-phenyl-1-propan-2-ylpyrazole-4-carboxylic acid
Names & synonyms
5-phenyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid1308236-66-9RefChem:537663858-330-35-phenyl-1-propan-2-ylpyrazole-4-carboxylic acidSCHEMBL5066520WZOJXPDBRDXLHM-UHFFFAOYSA-NICC23666AKOS010626572CS-0237109EN300-1780531-isopropyl-5-phenyl-pyrazole-4-carboxylic acid
Show more names
1-isopropyl-5-phenyl-1H-pyrazole-4-carboxylic acid5-phenyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
1308236-66-9- PubChem CID
- 61369096
- EC Number
- 858-330-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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