5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol

C17H22FN3O — CID 128965384

IUPAC5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCC(C)n1nccc1CN1CC(O)CC1c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O/c1-12(2)21-15(7-8-19-21)10-20-11-16(22)9-17(20)13-3-5-14(18)6-4-13/h3-8,12,16-17,22H,9-11H2,1-2H3
InChIKeyQEPUPGICOOYGCE-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.91
Rot. Bonds4

About 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol

5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 128965384) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID128965384
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCC(C)n1nccc1CN1CC(O)CC1c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O/c1-12(2)21-15(7-8-19-21)10-20-11-16(22)9-17(20)13-3-5-14(18)6-4-13/h3-8,12,16-17,22H,9-11H2,1-2H3
InChIKeyQEPUPGICOOYGCE-UHFFFAOYSA-N
XLogP2.91
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 128965384) is 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol is CC(C)n1nccc1CN1CC(O)CC1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is QEPUPGICOOYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-12(2)21-15(7-8-19-21)10-20-11-16(22)9-17(20)13-3-5-14(18)6-4-13/h3-8,12,16-17,22H,9-11H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol?
5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 303.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 128965384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).