(3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol

C15H18FN3O — CID 129480887

IUPAC(3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2cccc(F)c2)N(CCn2ccnc2)C1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-2-12(8-13)15-9-14(20)10-19(15)7-6-18-5-4-17-11-18/h1-5,8,11,14-15,20H,6-7,9-10H2/t14-,15+/m1/s1
InChIKeyUYIVFUGUWHGXBD-CABCVRRESA-N
MW275.33 g/mol
LogP1.83
Rot. Bonds4

About (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol

(3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol (PubChem CID 129480887) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol
PubChem CID129480887
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2cccc(F)c2)N(CCn2ccnc2)C1
InChIInChI=1S/C15H18FN3O/c16-13-3-1-2-12(8-13)15-9-14(20)10-19(15)7-6-18-5-4-17-11-18/h1-5,8,11,14-15,20H,6-7,9-10H2/t14-,15+/m1/s1
InChIKeyUYIVFUGUWHGXBD-CABCVRRESA-N
XLogP1.83
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5R)-1-(2-imidazol-1-ylethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129471341
(3S,5R)-5-(3,4-difluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol
CID 129446966
(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129480618
(3S,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129447463
1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole
CID 124733917
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
(3R,5S)-1-[(4-aminopyrimidin-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480505
N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 100711660
(3S,5S)-5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 129480693
N-(2,5-dimethylpyrazol-3-yl)-2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]acetamide
CID 100711666
(3R,5R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480964

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol (CID 129480887) is (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2cccc(F)c2)N(CCn2ccnc2)C1.
What is the InChIKey of (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol?
The InChIKey is UYIVFUGUWHGXBD-CABCVRRESA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-3-1-2-12(8-13)15-9-14(20)10-19(15)7-6-18-5-4-17-11-18/h1-5,8,11,14-15,20H,6-7,9-10H2/t14-,15+/m1/s1.
What are the key properties of (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol?
(3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol has a molecular weight of 275.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-fluorophenyl)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129480887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).