1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone

C23H28N4O2 — CID 53233963

IUPAC1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone
SMILESCCC(CN1CCN(C(C)=O)CC1)Oc1ccn(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C23H28N4O2/c1-3-22(17-25-12-14-26(15-13-25)18(2)28)29-23-10-11-27(24-23)21-9-8-19-6-4-5-7-20(19)16-21/h4-11,16,22H,3,12-15,17H2,1-2H3
InChIKeyATPLZETXGYUWTQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone

1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone (PubChem CID 53233963) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone
PubChem CID53233963
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone
SMILESCCC(CN1CCN(C(C)=O)CC1)Oc1ccn(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C23H28N4O2/c1-3-22(17-25-12-14-26(15-13-25)18(2)28)29-23-10-11-27(24-23)21-9-8-19-6-4-5-7-20(19)16-21/h4-11,16,22H,3,12-15,17H2,1-2H3
InChIKeyATPLZETXGYUWTQ-UHFFFAOYSA-N
XLogP3.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone (CID 53233963) is 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone is CCC(CN1CCN(C(C)=O)CC1)Oc1ccn(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone?
The InChIKey is ATPLZETXGYUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-22(17-25-12-14-26(15-13-25)18(2)28)29-23-10-11-27(24-23)21-9-8-19-6-4-5-7-20(19)16-21/h4-11,16,22H,3,12-15,17H2,1-2H3.
What are the key properties of 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone?
1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone has a molecular weight of 392.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53233963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).