1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone

C19H18FN3O2 — CID 128972540

IUPAC1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c20-15-6-3-5-13(8-15)18-9-16(24)11-22(18)19(25)12-23-17-7-2-1-4-14(17)10-21-23/h1-8,10,16,18,24H,9,11-12H2
InChIKeySWZRPVCSTGWPNG-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.51
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone

1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone (PubChem CID 128972540) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
PubChem CID128972540
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CC(O)CC1c1cccc(F)c1
InChIInChI=1S/C19H18FN3O2/c20-15-6-3-5-13(8-15)18-9-16(24)11-22(18)19(25)12-23-17-7-2-1-4-14(17)10-21-23/h1-8,10,16,18,24H,9,11-12H2
InChIKeySWZRPVCSTGWPNG-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone (CID 128972540) is 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone is O=C(Cn1ncc2ccccc21)N1CC(O)CC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
The InChIKey is SWZRPVCSTGWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-6-3-5-13(8-15)18-9-16(24)11-22(18)19(25)12-23-17-7-2-1-4-14(17)10-21-23/h1-8,10,16,18,24H,9,11-12H2.
What are the key properties of 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone has a molecular weight of 339.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone is sourced from PubChem (CID 128972540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).