[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol

C23H26FN3O2 — CID 70711397

IUPAC[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-29-20-7-8-21(22(24)13-20)23-18(14-26-11-9-17(16-28)10-12-26)15-27(25-23)19-5-3-2-4-6-19/h2-8,13,15,17,28H,9-12,14,16H2,1H3
InChIKeyZDHHGIHWIDCGCV-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.89
Rot. Bonds6

About [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol

[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol (PubChem CID 70711397) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol
PubChem CID70711397
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-29-20-7-8-21(22(24)13-20)23-18(14-26-11-9-17(16-28)10-12-26)15-27(25-23)19-5-3-2-4-6-19/h2-8,13,15,17,28H,9-12,14,16H2,1H3
InChIKeyZDHHGIHWIDCGCV-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

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol (CID 70711397) is [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(CO)CC2)c(F)c1.
What is the InChIKey of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is ZDHHGIHWIDCGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-29-20-7-8-21(22(24)13-20)23-18(14-26-11-9-17(16-28)10-12-26)15-27(25-23)19-5-3-2-4-6-19/h2-8,13,15,17,28H,9-12,14,16H2,1H3.
What are the key properties of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol?
[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-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-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 70711397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).