[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C18H23FN4O2 — CID 118740282

IUPAC[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C18H23FN4O2/c1-21(11-14-3-5-15(19)6-4-14)12-18(25)8-10-23(13-18)17(24)16-7-9-22(2)20-16/h3-7,9,25H,8,10-13H2,1-2H3
InChIKeyXYLXAAGXYHDAEI-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.27
Rot. Bonds5

About [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 118740282) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID118740282
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C18H23FN4O2/c1-21(11-14-3-5-15(19)6-4-14)12-18(25)8-10-23(13-18)17(24)16-7-9-22(2)20-16/h3-7,9,25H,8,10-13H2,1-2H3
InChIKeyXYLXAAGXYHDAEI-UHFFFAOYSA-N
XLogP1.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone 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 [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 118740282) is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is CN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccn(C)n2)C1.
What is the InChIKey of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is XYLXAAGXYHDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-21(11-14-3-5-15(19)6-4-14)12-18(25)8-10-23(13-18)17(24)16-7-9-22(2)20-16/h3-7,9,25H,8,10-13H2,1-2H3.
What are the key properties of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 346.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 118740282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).