3-[1-(4-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]propanoic acid
Basic information
- CAS
885530-21-2- Standard SMILES
CC1=NN(c2ccc(F)cc2)C(=O)C1CCC(=O)O- InChIKey
CTLSYMXLMGGLIB-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O3
- Average molar mass
- 264.25 g/mol
Names & identifiers
- Preferred name
- 3-[1-(4-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]propanoic acid
- IUPAC
- 3-[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]propanoic acid
- English name
- 3-[1-(4-Fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]propanoic acid
- Molecular formula
- C13H13FN2O3
- Molecular weight
- 264.25
Names & synonyms
3-[1-(4-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]propanoic acid885530-21-23-[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]propanoic acid3-(1-(4-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acidAKOS009133329F2130-0179
Database identifiers
- CAS
885530-21-2
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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