[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C19H25FN4O2 — CID 46964948

IUPAC[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-2-3-16-14-18(22-21-16)19(25)24-10-8-23(9-11-24)12-13-26-17-6-4-15(20)5-7-17/h4-7,14H,2-3,8-13H2,1H3,(H,21,22)
InChIKeyYPJHOJRTECYCCS-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.34
Rot. Bonds7

About [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 46964948) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID46964948
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-2-3-16-14-18(22-21-16)19(25)24-10-8-23(9-11-24)12-13-26-17-6-4-15(20)5-7-17/h4-7,14H,2-3,8-13H2,1H3,(H,21,22)
InChIKeyYPJHOJRTECYCCS-UHFFFAOYSA-N
XLogP2.34
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
4-[[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 56811280
(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70784145
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70780966
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 71724969
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 24811530
(3-fluorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638138
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 97124144

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 46964948) is [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)n[nH]1.
What is the InChIKey of [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is YPJHOJRTECYCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-2-3-16-14-18(22-21-16)19(25)24-10-8-23(9-11-24)12-13-26-17-6-4-15(20)5-7-17/h4-7,14H,2-3,8-13H2,1H3,(H,21,22).
What are the key properties of [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 360.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 46964948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).