(2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

C19H24FN3O2 — CID 53150778

IUPAC(2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H24FN3O2/c1-2-23-18(6-10-21-23)19(24)22-11-7-15(8-12-22)9-13-25-17-5-3-4-16(20)14-17/h3-6,10,14-15H,2,7-9,11-13H2,1H3
InChIKeyAHTPODWYJUSHNA-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.36
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 53150778) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID53150778
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H24FN3O2/c1-2-23-18(6-10-21-23)19(24)22-11-7-15(8-12-22)9-13-25-17-5-3-4-16(20)14-17/h3-6,10,14-15H,2,7-9,11-13H2,1H3
InChIKeyAHTPODWYJUSHNA-UHFFFAOYSA-N
XLogP3.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-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 (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 53150778) is (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is AHTPODWYJUSHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-2-23-18(6-10-21-23)19(24)22-11-7-15(8-12-22)9-13-25-17-5-3-4-16(20)14-17/h3-6,10,14-15H,2,7-9,11-13H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).