3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine

C23H16Cl2F3N3O2 — CID 59240196

IUPAC3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine
SMILESCOc1ncccc1-c1ccc(COc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H16Cl2F3N3O2/c1-32-22-16(4-3-11-29-22)15-9-7-14(8-10-15)13-33-20-12-19(23(26,27)28)30-31(20)21-17(24)5-2-6-18(21)25/h2-12H,13H2,1H3
InChIKeySUVAZEPUEXNZRT-UHFFFAOYSA-N
MW494.30 g/mol
LogP6.85
Rot. Bonds6

About 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine

3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine (PubChem CID 59240196) has the molecular formula C23H16Cl2F3N3O2 and a molecular weight of 494.30 g/mol. Its IUPAC name is 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine
PubChem CID59240196
Molecular FormulaC23H16Cl2F3N3O2
Molecular Weight494.30 g/mol
Exact Mass493.06
IUPAC Name3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine
SMILESCOc1ncccc1-c1ccc(COc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H16Cl2F3N3O2/c1-32-22-16(4-3-11-29-22)15-9-7-14(8-10-15)13-33-20-12-19(23(26,27)28)30-31(20)21-17(24)5-2-6-18(21)25/h2-12H,13H2,1H3
InChIKeySUVAZEPUEXNZRT-UHFFFAOYSA-N
XLogP6.85
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.30
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine?
The IUPAC name of 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine (CID 59240196) is 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine.
What is the SMILES notation for 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine?
The canonical SMILES for 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine is COc1ncccc1-c1ccc(COc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine?
The InChIKey is SUVAZEPUEXNZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N3O2/c1-32-22-16(4-3-11-29-22)15-9-7-14(8-10-15)13-33-20-12-19(23(26,27)28)30-31(20)21-17(24)5-2-6-18(21)25/h2-12H,13H2,1H3.
What are the key properties of 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine?
3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine has a molecular weight of 494.30 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]phenyl]-2-methoxypyridine is sourced from PubChem (CID 59240196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).