5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol

C18H18FN3O2 — CID 128975914

IUPAC5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
SMILESOC1CC(c2cccc(F)c2)N(Cc2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C18H18FN3O2/c19-13-3-1-2-12(8-13)17-9-14(23)10-22(17)11-15-4-5-18(24-15)16-6-7-20-21-16/h1-8,14,17,23H,9-11H2,(H,20,21)
InChIKeyLAWFXJVMBKFBIE-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.12
Rot. Bonds4

About 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol

5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 128975914) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
PubChem CID128975914
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
SMILESOC1CC(c2cccc(F)c2)N(Cc2ccc(-c3ccn[nH]3)o2)C1
InChIInChI=1S/C18H18FN3O2/c19-13-3-1-2-12(8-13)17-9-14(23)10-22(17)11-15-4-5-18(24-15)16-6-7-20-21-16/h1-8,14,17,23H,9-11H2,(H,20,21)
InChIKeyLAWFXJVMBKFBIE-UHFFFAOYSA-N
XLogP3.12
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol (CID 128975914) is 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol is OC1CC(c2cccc(F)c2)N(Cc2ccc(-c3ccn[nH]3)o2)C1.
What is the InChIKey of 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is LAWFXJVMBKFBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-3-1-2-12(8-13)17-9-14(23)10-22(17)11-15-4-5-18(24-15)16-6-7-20-21-16/h1-8,14,17,23H,9-11H2,(H,20,21).
What are the key properties of 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol?
5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 327.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 128975914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).