1-(4-fluoro-phenyl)-4-isopropyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid 5-benzyl ester 3-methyl ester

HCID 59831997
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Basic information

Standard SMILES
COC(=O)C1=NN(c2ccc(F)cc2)C(C(=O)OCc2ccccc2)C1C(C)C
InChIKey
ITFYVWPYQBNYMQ-UHFFFAOYSA-N
Molecular formula
C22H23FN2O4
Average molar mass
398.4 g/mol
Monoisotopic mass
398.16418538

Names & identifiers

Preferred name
1-(4-fluoro-phenyl)-4-isopropyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid 5-benzyl ester 3-methyl ester
IUPAC
3-O-benzyl 5-O-methyl 2-(4-fluorophenyl)-4-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxylate

Names & synonyms

SCHEMBL3818974ITFYVWPYQBNYMQ-UHFFFAOYSA-N1-(4-fluoro-phenyl)-4-isopropyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid 5-benzyl ester 3-methyl ester

Database identifiers

PubChem CID
59831997

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
68.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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