2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone

C21H19F3N2O2 — CID 149466010

IUPAC2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone
SMILESCOc1ccc(Cn2ccc(CC(=O)c3ccccc3C)n2)c(C(F)(F)F)c1
InChIInChI=1S/C21H19F3N2O2/c1-14-5-3-4-6-18(14)20(27)11-16-9-10-26(25-16)13-15-7-8-17(28-2)12-19(15)21(22,23)24/h3-10,12H,11,13H2,1-2H3
InChIKeyZAKZGXRIGWNELM-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.69
Rot. Bonds6

About 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone

2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone (PubChem CID 149466010) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone
PubChem CID149466010
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone
SMILESCOc1ccc(Cn2ccc(CC(=O)c3ccccc3C)n2)c(C(F)(F)F)c1
InChIInChI=1S/C21H19F3N2O2/c1-14-5-3-4-6-18(14)20(27)11-16-9-10-26(25-16)13-15-7-8-17(28-2)12-19(15)21(22,23)24/h3-10,12H,11,13H2,1-2H3
InChIKeyZAKZGXRIGWNELM-UHFFFAOYSA-N
XLogP4.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone (CID 149466010) is 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone is COc1ccc(Cn2ccc(CC(=O)c3ccccc3C)n2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone?
The InChIKey is ZAKZGXRIGWNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-14-5-3-4-6-18(14)20(27)11-16-9-10-26(25-16)13-15-7-8-17(28-2)12-19(15)21(22,23)24/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone?
2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone has a molecular weight of 388.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 149466010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).