Basic information
- CAS
936127-82-1- Standard SMILES
Cn1cc(C(=O)O)c(-c2ccc(F)cc2)n1- InChIKey
XXHZAFBDRMILDL-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O2
- Average molar mass
- 220.2 g/mol
- Monoisotopic mass
- 220.0648057
Names & identifiers
- Preferred name
- 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 3-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
Names & synonyms
936127-82-13-(4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxylic acidSCHEMBL157504613-(4-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxylicacidEN300-101698913-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
Database identifiers
- CAS
936127-82-1- PubChem CID
- 39095934
- EC Number
- 189-271-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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