6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one

C23H18F3N3O2 — CID 162587560

IUPAC6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCOc1cc(=O)c(-c2ccnn2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O2/c1-15-22(19-11-12-27-29(19)17-8-4-3-5-9-17)20(30)14-21(31-2)28(15)18-10-6-7-16(13-18)23(24,25)26/h3-14H,1-2H3
InChIKeySXCHUVJMTXJYSA-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.03
Rot. Bonds4

About 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one

6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 162587560) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID162587560
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCOc1cc(=O)c(-c2ccnn2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O2/c1-15-22(19-11-12-27-29(19)17-8-4-3-5-9-17)20(30)14-21(31-2)28(15)18-10-6-7-16(13-18)23(24,25)26/h3-14H,1-2H3
InChIKeySXCHUVJMTXJYSA-UHFFFAOYSA-N
XLogP5.03
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-methoxyphenyl)pyrazol-3-yl]-3,6-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 90197492
5-[2-(4-fluorophenyl)pyrazol-3-yl]-3,6-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 90197311
5-[2-(4-isocyanophenyl)pyrazol-3-yl]-3-[(2R)-1-methoxypropan-2-yl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 123230023
3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 46219819
2-[5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propanoic acid
CID 90197068
3-[(2R)-1-hydroxypropan-2-yl]-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 123154432
4-[5-[4-methyl-1-[(2R)-1-methylsulfanylpropan-2-yl]-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]benzonitrile
CID 71251419
4-[5-[3-ethyl-5-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrazol-1-yl]benzonitrile
CID 150418606
5-methoxy-2-[2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
CID 135425181
5-bromo-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 58072174
2-[5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propane-1-sulfonamide
CID 90197192
ethyl 5-[2-(4-cyanophenyl)pyrazol-3-yl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxylate
CID 121393702

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 162587560) is 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one is COc1cc(=O)c(-c2ccnn2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is SXCHUVJMTXJYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-15-22(19-11-12-27-29(19)17-8-4-3-5-9-17)20(30)14-21(31-2)28(15)18-10-6-7-16(13-18)23(24,25)26/h3-14H,1-2H3.
What are the key properties of 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one?
6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 425.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 162587560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).