1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone

C19H24F2N4O2 — CID 54673645

IUPAC1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1
InChIInChI=1S/C19H24F2N4O2/c1-15(26)24-10-8-23(9-11-24)6-2-12-27-14-16-5-7-25(22-16)17-3-4-18(20)19(21)13-17/h3-5,7,13H,2,6,8-12,14H2,1H3
InChIKeyRSCNMLYPALICFN-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.22
Rot. Bonds7

About 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone

1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone (PubChem CID 54673645) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone
PubChem CID54673645
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1
InChIInChI=1S/C19H24F2N4O2/c1-15(26)24-10-8-23(9-11-24)6-2-12-27-14-16-5-7-25(22-16)17-3-4-18(20)19(21)13-17/h3-5,7,13H,2,6,8-12,14H2,1H3
InChIKeyRSCNMLYPALICFN-UHFFFAOYSA-N
XLogP2.22
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone (CID 54673645) is 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCOCc2ccn(-c3ccc(F)c(F)c3)n2)CC1.
What is the InChIKey of 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone?
The InChIKey is RSCNMLYPALICFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-15(26)24-10-8-23(9-11-24)6-2-12-27-14-16-5-7-25(22-16)17-3-4-18(20)19(21)13-17/h3-5,7,13H,2,6,8-12,14H2,1H3.
What are the key properties of 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone?
1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone has a molecular weight of 378.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 54673645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).