[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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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
CID 24811073
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431899
5-(3-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575014
2-(((4-Methoxyphenyl)(methyl)amino)methyl)-5-(2,4,6-trifluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575041
5-(4-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575148
5-(3,5-Difluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575157
5-(2-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575193
tert-butyl 4-[3-{[(4-fluorophenyl)amino]carbonyl}-1-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1-piperidinecarboxylate
CID 2984054

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).