1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone

C18H22F2N4O2 — CID 67991973

IUPAC1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOC(c2ccc(F)c(F)c2)c2ccn[nH]2)CC1
InChIInChI=1S/C18H22F2N4O2/c1-13(25)24-8-6-23(7-9-24)10-11-26-18(17-4-5-21-22-17)14-2-3-15(19)16(20)12-14/h2-5,12,18H,6-11H2,1H3,(H,21,22)
InChIKeyUJZPQUNTAPFKHS-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.96
Rot. Bonds6

About 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone (PubChem CID 67991973) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone
PubChem CID67991973
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCOC(c2ccc(F)c(F)c2)c2ccn[nH]2)CC1
InChIInChI=1S/C18H22F2N4O2/c1-13(25)24-8-6-23(7-9-24)10-11-26-18(17-4-5-21-22-17)14-2-3-15(19)16(20)12-14/h2-5,12,18H,6-11H2,1H3,(H,21,22)
InChIKeyUJZPQUNTAPFKHS-UHFFFAOYSA-N
XLogP1.96
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone (CID 67991973) is 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCOC(c2ccc(F)c(F)c2)c2ccn[nH]2)CC1.
What is the InChIKey of 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
The InChIKey is UJZPQUNTAPFKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-13(25)24-8-6-23(7-9-24)10-11-26-18(17-4-5-21-22-17)14-2-3-15(19)16(20)12-14/h2-5,12,18H,6-11H2,1H3,(H,21,22).
What are the key properties of 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone has a molecular weight of 364.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 67991973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).