4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine

C23H18F3N3O — CID 166921650

IUPAC4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine
SMILESCOc1ccncc1-c1cnn(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2C)c1
InChIInChI=1S/C23H18F3N3O/c1-15-6-7-17(16-4-3-5-19(10-16)23(24,25)26)11-21(15)29-14-18(12-28-29)20-13-27-9-8-22(20)30-2/h3-14H,1-2H3
InChIKeyKEWTUUYFUATRIN-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.94
Rot. Bonds4

About 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine

4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine (PubChem CID 166921650) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine
PubChem CID166921650
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine
SMILESCOc1ccncc1-c1cnn(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2C)c1
InChIInChI=1S/C23H18F3N3O/c1-15-6-7-17(16-4-3-5-19(10-16)23(24,25)26)11-21(15)29-14-18(12-28-29)20-13-27-9-8-22(20)30-2/h3-14H,1-2H3
InChIKeyKEWTUUYFUATRIN-UHFFFAOYSA-N
XLogP5.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-[4-(4-methoxy-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]phenyl]-2-methylpropanenitrile
CID 166921655
N-[3-[4-[4-(4-hydroxybutoxy)-3-pyridinyl]pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 154688821
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
N-[4-methyl-3-[4-[4-(1-methylsulfonylazetidin-3-yl)oxy-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688681
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 154688818
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
[2-methoxy-5-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]boronic acid
CID 123757639
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978
2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 113392793
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine?
The IUPAC name of 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine (CID 166921650) is 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine?
The canonical SMILES for 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine is COc1ccncc1-c1cnn(-c2cc(-c3cccc(C(F)(F)F)c3)ccc2C)c1.
What is the InChIKey of 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine?
The InChIKey is KEWTUUYFUATRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c1-15-6-7-17(16-4-3-5-19(10-16)23(24,25)26)11-21(15)29-14-18(12-28-29)20-13-27-9-8-22(20)30-2/h3-14H,1-2H3.
What are the key properties of 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine?
4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine has a molecular weight of 409.41 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-yl]pyridine is sourced from PubChem (CID 166921650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).