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

C27H24F2N2O3 — CID 58083508

IUPAC2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
SMILESCCOc1cccc(COc2ccccc2Cn2ccc(C(=O)Cc3c(F)cccc3F)n2)c1
InChIInChI=1S/C27H24F2N2O3/c1-2-33-21-9-5-7-19(15-21)18-34-27-12-4-3-8-20(27)17-31-14-13-25(30-31)26(32)16-22-23(28)10-6-11-24(22)29/h3-15H,2,16-18H2,1H3
InChIKeyGGUICPHTSMUBEI-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.61
Rot. Bonds10

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

2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone (PubChem CID 58083508) 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-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
PubChem CID58083508
Molecular FormulaC27H24F2N2O3
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
SMILESCCOc1cccc(COc2ccccc2Cn2ccc(C(=O)Cc3c(F)cccc3F)n2)c1
InChIInChI=1S/C27H24F2N2O3/c1-2-33-21-9-5-7-19(15-21)18-34-27-12-4-3-8-20(27)17-31-14-13-25(30-31)26(32)16-22-23(28)10-6-11-24(22)29/h3-15H,2,16-18H2,1H3
InChIKeyGGUICPHTSMUBEI-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-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
CID 58083563
1-[1-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]pyrazol-3-yl]-2-(2,6-difluorophenyl)ethanone
CID 58083539
ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate
CID 58083572
1-[(2-butoxyphenyl)methyl]pyrazole-3-carbonyl chloride
CID 86661912
3-[(4-ethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394881
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286039
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19402873
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
pentapotassium;gadolinium(3+);bis(1-[[2,4,5-tris[(3-carboxylatopyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxylate)
CID 11981372

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone (CID 58083508) is 2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone is CCOc1cccc(COc2ccccc2Cn2ccc(C(=O)Cc3c(F)cccc3F)n2)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
The InChIKey is GGUICPHTSMUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O3/c1-2-33-21-9-5-7-19(15-21)18-34-27-12-4-3-8-20(27)17-31-14-13-25(30-31)26(32)16-22-23(28)10-6-11-24(22)29/h3-15H,2,16-18H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone?
2-(2,6-difluorophenyl)-1-[1-[[2-[(3-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-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 58083508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).