1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone

C20H20FN3O2 — CID 154800593

IUPAC1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone
SMILESO=C(Cn1cc2ccccc2n1)N1CC(c2ccccc2)C(F)(CO)C1
InChIInChI=1S/C20H20FN3O2/c21-20(14-25)13-23(11-17(20)15-6-2-1-3-7-15)19(26)12-24-10-16-8-4-5-9-18(16)22-24/h1-10,17,25H,11-14H2
InChIKeyZKRIUORXBYIJJS-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone

1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone (PubChem CID 154800593) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone.

Molecular Properties

Compound Name1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone
PubChem CID154800593
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone
SMILESO=C(Cn1cc2ccccc2n1)N1CC(c2ccccc2)C(F)(CO)C1
InChIInChI=1S/C20H20FN3O2/c21-20(14-25)13-23(11-17(20)15-6-2-1-3-7-15)19(26)12-24-10-16-8-4-5-9-18(16)22-24/h1-10,17,25H,11-14H2
InChIKeyZKRIUORXBYIJJS-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone?
The IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone (CID 154800593) is 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone.
What is the SMILES notation for 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone?
The canonical SMILES for 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone is O=C(Cn1cc2ccccc2n1)N1CC(c2ccccc2)C(F)(CO)C1.
What is the InChIKey of 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone?
The InChIKey is ZKRIUORXBYIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-20(14-25)13-23(11-17(20)15-6-2-1-3-7-15)19(26)12-24-10-16-8-4-5-9-18(16)22-24/h1-10,17,25H,11-14H2.
What are the key properties of 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone?
1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone has a molecular weight of 353.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone is sourced from PubChem (CID 154800593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).