Basic information
- Standard SMILES
CC(C)n1nc(-c2cccs2)cc1C(=O)O- InChIKey
MICBVLBHUVPYED-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
Names & identifiers
- Preferred name
- 1-isopropyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-propan-2-yl-3-thiophen-2-ylpyrazole-5-carboxylic acid
Names & synonyms
1-isopropyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid1012879-59-2SCHEMBL4418323MICBVLBHUVPYED-UHFFFAOYSA-NAKOS022548874DA-29277F2198-0878
Database identifiers
- PubChem CID
- 69035933
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Related reactions
3 records
Compound notes
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