[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

C18H22FN3O3 — CID 91918276

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O3/c1-24-10-11-25-15-6-8-22(9-7-15)18(23)16-12-20-21-17(16)13-2-4-14(19)5-3-13/h2-5,12,15H,6-11H2,1H3,(H,20,21)
InChIKeyWIGMZDLORVNULX-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.48
Rot. Bonds6

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91918276) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
PubChem CID91918276
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O3/c1-24-10-11-25-15-6-8-22(9-7-15)18(23)16-12-20-21-17(16)13-2-4-14(19)5-3-13/h2-5,12,15H,6-11H2,1H3,(H,20,21)
InChIKeyWIGMZDLORVNULX-UHFFFAOYSA-N
XLogP2.48
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (CID 91918276) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is COCCOC1CCN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is WIGMZDLORVNULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-24-10-11-25-15-6-8-22(9-7-15)18(23)16-12-20-21-17(16)13-2-4-14(19)5-3-13/h2-5,12,15H,6-11H2,1H3,(H,20,21).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 347.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91918276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).