(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol

C15H18FN3O — CID 129349173

IUPAC(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCn1ccnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-18-7-6-17-15(18)10-19-9-13(20)8-14(19)11-2-4-12(16)5-3-11/h2-7,13-14,20H,8-10H2,1H3/t13-,14+/m0/s1
InChIKeySGSWZDYQBYBEDH-UONOGXRCSA-N
MW275.33 g/mol
LogP1.87
Rot. Bonds3

About (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol

(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 129349173) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID129349173
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCn1ccnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O/c1-18-7-6-17-15(18)10-19-9-13(20)8-14(19)11-2-4-12(16)5-3-11/h2-7,13-14,20H,8-10H2,1H3/t13-,14+/m0/s1
InChIKeySGSWZDYQBYBEDH-UONOGXRCSA-N
XLogP1.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129349792
(3S,5R)-5-(4-fluorophenyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 100698925
(3S,5S)-5-(4-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129350956
(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
CID 129351038
(3S,5R)-5-(4-fluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 129349175
(3R,5S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129349132
(3S,5R)-5-(4-fluorophenyl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrrolidin-3-ol
CID 129351040
(3R,5S)-5-(4-fluorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 129350975
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
4-[[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N-methylbenzamide
CID 129350434
(3S,5R)-1-[(2,3-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-ol
CID 129350845
(3S,5R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393602

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol (CID 129349173) is (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol is Cn1ccnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SGSWZDYQBYBEDH-UONOGXRCSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-18-7-6-17-15(18)10-19-9-13(20)8-14(19)11-2-4-12(16)5-3-11/h2-7,13-14,20H,8-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol?
(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 275.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129349173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).