(2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone

C23H24FN3O2 — CID 53149294

IUPAC(2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H24FN3O2/c1-2-29-22-9-4-3-8-21(22)23(28)26-12-10-17(11-13-26)18-15-25-27(16-18)20-7-5-6-19(24)14-20/h3-9,14-17H,2,10-13H2,1H3
InChIKeyLZVSFRIZEYLBBR-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.43
Rot. Bonds5

About (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone

(2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (PubChem CID 53149294) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
PubChem CID53149294
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H24FN3O2/c1-2-29-22-9-4-3-8-21(22)23(28)26-12-10-17(11-13-26)18-15-25-27(16-18)20-7-5-6-19(24)14-20/h3-9,14-17H,2,10-13H2,1H3
InChIKeyLZVSFRIZEYLBBR-UHFFFAOYSA-N
XLogP4.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone (CID 53149294) is (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is LZVSFRIZEYLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-2-29-22-9-4-3-8-21(22)23(28)26-12-10-17(11-13-26)18-15-25-27(16-18)20-7-5-6-19(24)14-20/h3-9,14-17H,2,10-13H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 393.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 53149294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).