4'-((7-Oxo-5-propyl-1,7-dihydropyrazolo(1,5-a)pyrimidin-6-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid
Basic information
- CAS
167375-28-2- Standard SMILES
CCCc1nc2cc[nH]n2c(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1- InChIKey
NHHVQPWNYREWJP-UHFFFAOYSA-N- Molecular formula
- C23H21N3O3
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.15829154
Names & identifiers
- Preferred name
- 4'-((7-Oxo-5-propyl-1,7-dihydropyrazolo(1,5-a)pyrimidin-6-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid
- IUPAC
- 2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid
- English name
- 6-((2'-Carboxybiphenyl-4-yl)methyl)-7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidine
- Molecular formula
- C23H21N3O3
- Molecular weight
- 387.43
Names & synonyms
167375-28-2DTXSID909373164'-((7-Oxo-5-propyl-1,7-dihydropyrazolo(1,5-a)pyrimidin-6-yl)methyl)(1,1'-biphenyl)-2-carboxylic acid4'-[(7-Oxo-5-propyl-1,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methyl][1,1'-biphenyl]-2-carboxylic acidRefChem:1069019DTXCID8013658856-((2'-Carboxybiphenyl-4-yl)methyl)-7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidine4'-((7-Hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid4'-({7-hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)-[1,1'-biphenyl]-2-carboxylic acid2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid(1,1'-Biphenyl)-2-carboxylic acid, 4'-((7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidin-6-yl)methyl)-SCHEMBL9255952
Show more names
[1,1'-Biphenyl]-2-carboxylic acid, 4'-[(7-hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-
6-((2/'-Carboxybiphenyl-4-yl)methyl)-7-hydroxy-5-propylpyrazolo(1,5-a)pyrimidine4'-((7-Hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl)-[1,1'-biphenyl]-2-carboxylicacid
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 746
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.36(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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