[1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol

C23H26FN3O2 — CID 70787289

IUPAC[1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(-n2cc(CN3CCCC(CO)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H26FN3O2/c1-29-22-9-7-21(8-10-22)27-15-19(14-26-11-3-4-17(13-26)16-28)23(25-27)18-5-2-6-20(24)12-18/h2,5-10,12,15,17,28H,3-4,11,13-14,16H2,1H3
InChIKeyCLZDZEVYRZQPMH-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.89
Rot. Bonds6

About [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol

[1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol (PubChem CID 70787289) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
PubChem CID70787289
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(-n2cc(CN3CCCC(CO)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C23H26FN3O2/c1-29-22-9-7-21(8-10-22)27-15-19(14-26-11-3-4-17(13-26)16-28)23(25-27)18-5-2-6-20(24)12-18/h2,5-10,12,15,17,28H,3-4,11,13-14,16H2,1H3
InChIKeyCLZDZEVYRZQPMH-UHFFFAOYSA-N
XLogP3.89
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol 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-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol (CID 70787289) is [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol is COc1ccc(-n2cc(CN3CCCC(CO)C3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is CLZDZEVYRZQPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-29-22-9-7-21(8-10-22)27-15-19(14-26-11-3-4-17(13-26)16-28)23(25-27)18-5-2-6-20(24)12-18/h2,5-10,12,15,17,28H,3-4,11,13-14,16H2,1H3.
What are the key properties of [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
[1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 395.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70787289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).