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

C23H16Cl2F3N3O2 — CID 57458720

IUPAC3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine
SMILESCOc1ncccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H16Cl2F3N3O2/c1-32-22-17(4-3-11-29-22)14-7-9-16(10-8-14)33-13-15-12-20(23(26,27)28)30-31(15)21-18(24)5-2-6-19(21)25/h2-12H,13H2,1H3
InChIKeySHULWNICMRCCLL-UHFFFAOYSA-N
MW494.30 g/mol
LogP6.85
Rot. Bonds6

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

3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine (PubChem CID 57458720) 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]methoxy]phenyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine
PubChem CID57458720
Molecular FormulaC23H16Cl2F3N3O2
Molecular Weight494.30 g/mol
Exact Mass493.06
IUPAC Name3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine
SMILESCOc1ncccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H16Cl2F3N3O2/c1-32-22-17(4-3-11-29-22)14-7-9-16(10-8-14)33-13-15-12-20(23(26,27)28)30-31(15)21-18(24)5-2-6-19(21)25/h2-12H,13H2,1H3
InChIKeySHULWNICMRCCLL-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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Related Compounds

Jnj-42259152
CID 51353528
2-(3-chlorophenyl)-3-(fluoromethoxy)-6-[(1-(111C)methylpyrazol-4-yl)methyl]pyridine
CID 168279860
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinoline
CID 44189787
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466370
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374
5-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466375
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-(trifluoromethyl)pyridine
CID 53466378
3-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466457
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
CID 53466458

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine?
The IUPAC name of 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine (CID 57458720) is 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine.
What is the SMILES notation for 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine?
The canonical SMILES for 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine is COc1ncccc1-c1ccc(OCc2cc(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]methoxy]phenyl]-2-methoxypyridine?
The InChIKey is SHULWNICMRCCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N3O2/c1-32-22-17(4-3-11-29-22)14-7-9-16(10-8-14)33-13-15-12-20(23(26,27)28)30-31(15)21-18(24)5-2-6-19(21)25/h2-12H,13H2,1H3.
What are the key properties of 3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine?
3-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]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]methoxy]phenyl]-2-methoxypyridine is sourced from PubChem (CID 57458720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).