(1-{4'-[5-(1-Hydroxy-4-phenyl-butyl)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropyl)-acetic acid ethyl ester

HCID 67959554
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Basic information

Standard SMILES
CCOC(=O)CC1(c2ccc(-c3ccc(-c4cnn(C)c4C(O)CCCc4ccccc4)cc3)cc2)CC1
InChIKey
JYCGBDUKZHLKRW-UHFFFAOYSA-N
Molecular formula
C33H36N2O3
Average molar mass
508.6 g/mol
Monoisotopic mass
508.27259301

Names & identifiers

Preferred name
(1-{4'-[5-(1-Hydroxy-4-phenyl-butyl)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropyl)-acetic acid ethyl ester
IUPAC
ethyl 2-[1-[4-[4-[5-(1-hydroxy-4-phenylbutyl)-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropyl]acetate

Names & synonyms

SCHEMBL9904106JYCGBDUKZHLKRW-UHFFFAOYSA-N(1-{4'-[5-(1-Hydroxy-4-phenyl-butyl)-1-methyl-1H-pyrazol-4-yl]-biphenyl-4-yl}-cyclopropyl)-acetic acid ethyl ester

Database identifiers

PubChem CID
67959554

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
12
Heavy atoms
38

Related reactions

1 records
New reaction record

Compound notes

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