2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone

C26H24N2O2 — CID 159458448

IUPAC2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c1-19-8-10-20(11-9-19)14-25(29)24-13-12-22(23-16-27-28(2)17-23)15-26(24)30-18-21-6-4-3-5-7-21/h3-13,15-17H,14,18H2,1-2H3
InChIKeyLUGYCYFIUITJJX-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.40
Rot. Bonds7

About 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone

2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone (PubChem CID 159458448) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
PubChem CID159458448
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c1-19-8-10-20(11-9-19)14-25(29)24-13-12-22(23-16-27-28(2)17-23)15-26(24)30-18-21-6-4-3-5-7-21/h3-13,15-17H,14,18H2,1-2H3
InChIKeyLUGYCYFIUITJJX-UHFFFAOYSA-N
XLogP5.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 161153519
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
1-[5-methyl-4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]-2-pyridazin-4-ylethanone
CID 160947499
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
CID 157130590
N-[4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]phenyl]-3-methylbenzamide
CID 161423334
N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
CID 146940797
1-[(3R)-3-[5-(1-methylpyrazol-4-yl)-2-(2-phenylacetyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 158915406
4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoic acid
CID 66611962
2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone
CID 159554906
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
benzyl 4-(dimethylcarbamoyl)-5-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzoate
CID 66611924
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone (CID 159458448) is 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone is Cc1ccc(CC(=O)c2ccc(-c3cnn(C)c3)cc2OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone?
The InChIKey is LUGYCYFIUITJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-19-8-10-20(11-9-19)14-25(29)24-13-12-22(23-16-27-28(2)17-23)15-26(24)30-18-21-6-4-3-5-7-21/h3-13,15-17H,14,18H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone?
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone has a molecular weight of 396.49 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone is sourced from PubChem (CID 159458448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).