2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone

C27H24F2N2O3 — CID 58083563

IUPAC2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
SMILESCCOc1ccc(COc2ccccc2Cn2ccc(C(=O)Cc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C27H24F2N2O3/c1-2-33-21-12-10-19(11-13-21)18-34-27-9-4-3-6-20(27)17-31-15-14-25(30-31)26(32)16-22-23(28)7-5-8-24(22)29/h3-15H,2,16-18H2,1H3
InChIKeyGIARPBHQXFTKLQ-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.61
Rot. Bonds10

About 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone

2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone (PubChem CID 58083563) has the molecular formula C27H24F2N2O3 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
PubChem CID58083563
Molecular FormulaC27H24F2N2O3
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
SMILESCCOc1ccc(COc2ccccc2Cn2ccc(C(=O)Cc3c(F)cccc3F)n2)cc1
InChIInChI=1S/C27H24F2N2O3/c1-2-33-21-12-10-19(11-13-21)18-34-27-9-4-3-6-20(27)17-31-15-14-25(30-31)26(32)16-22-23(28)7-5-8-24(22)29/h3-15H,2,16-18H2,1H3
InChIKeyGIARPBHQXFTKLQ-UHFFFAOYSA-N
XLogP5.61
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
CID 58083508
1-[1-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]pyrazol-3-yl]-2-(2,6-difluorophenyl)ethanone
CID 58083539
1-[(2-butoxyphenyl)methyl]pyrazole-3-carbonyl chloride
CID 86661912
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 1246315
4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
CID 8502972
3-[(4-ethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394881
5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 4076935
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286039
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone (CID 58083563) is 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone is CCOc1ccc(COc2ccccc2Cn2ccc(C(=O)Cc3c(F)cccc3F)n2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
The InChIKey is GIARPBHQXFTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O3/c1-2-33-21-12-10-19(11-13-21)18-34-27-9-4-3-6-20(27)17-31-15-14-25(30-31)26(32)16-22-23(28)7-5-8-24(22)29/h3-15H,2,16-18H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone has a molecular weight of 462.50 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 58083563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).