2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

C17H21FN4O2 — CID 52907341

IUPAC2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H21FN4O2/c18-15-4-1-2-5-16(15)24-14-17(23)21-11-8-20(9-12-21)10-13-22-7-3-6-19-22/h1-7H,8-14H2
InChIKeySTFRJFLGXCLOCI-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.25
Rot. Bonds6

About 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 52907341) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID52907341
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H21FN4O2/c18-15-4-1-2-5-16(15)24-14-17(23)21-11-8-20(9-12-21)10-13-22-7-3-6-19-22/h1-7H,8-14H2
InChIKeySTFRJFLGXCLOCI-UHFFFAOYSA-N
XLogP1.25
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (CID 52907341) is 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1F)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is STFRJFLGXCLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-15-4-1-2-5-16(15)24-14-17(23)21-11-8-20(9-12-21)10-13-22-7-3-6-19-22/h1-7H,8-14H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 332.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 52907341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).