[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone

C17H20FN3O2 — CID 35326002

IUPAC[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H20FN3O2/c1-13-6-9-20(10-7-13)17(22)16-8-11-21(19-16)12-23-15-4-2-14(18)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyWHBAMOUADZQUJM-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.93
Rot. Bonds4

About [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone

[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 35326002) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID35326002
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C17H20FN3O2/c1-13-6-9-20(10-7-13)17(22)16-8-11-21(19-16)12-23-15-4-2-14(18)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyWHBAMOUADZQUJM-UHFFFAOYSA-N
XLogP2.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 35326002) is [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccn(COc3ccc(F)cc3)n2)CC1.
What is the InChIKey of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WHBAMOUADZQUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-13-6-9-20(10-7-13)17(22)16-8-11-21(19-16)12-23-15-4-2-14(18)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 317.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenoxy)methyl]pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 35326002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).