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

C22H23F2N3O — CID 70775732

IUPAC4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(F)CC2)c(F)c1
InChIInChI=1S/C22H23F2N3O/c1-28-19-7-8-20(21(24)13-19)22-16(14-26-11-9-17(23)10-12-26)15-27(25-22)18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14H2,1H3
InChIKeyGZGBZLUFFSKXTL-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.62
Rot. Bonds5

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

4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine (PubChem CID 70775732) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine
PubChem CID70775732
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(F)CC2)c(F)c1
InChIInChI=1S/C22H23F2N3O/c1-28-19-7-8-20(21(24)13-19)22-16(14-26-11-9-17(23)10-12-26)15-27(25-22)18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14H2,1H3
InChIKeyGZGBZLUFFSKXTL-UHFFFAOYSA-N
XLogP4.62
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine?
The IUPAC name of 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine (CID 70775732) is 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine?
The canonical SMILES for 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(F)CC2)c(F)c1.
What is the InChIKey of 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine?
The InChIKey is GZGBZLUFFSKXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-28-19-7-8-20(21(24)13-19)22-16(14-26-11-9-17(23)10-12-26)15-27(25-22)18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14H2,1H3.
What are the key properties of 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine?
4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine has a molecular weight of 383.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine is sourced from PubChem (CID 70775732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).