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

C23H17ClF3N3O2 — CID 59240028

IUPAC5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine
SMILESCOc1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cn1
InChIInChI=1S/C23H17ClF3N3O2/c1-31-22-11-8-16(13-28-22)15-6-9-18(10-7-15)32-14-17-12-21(23(25,26)27)29-30(17)20-5-3-2-4-19(20)24/h2-13H,14H2,1H3
InChIKeyIQJMSMVIDJWSNT-UHFFFAOYSA-N
MW459.86 g/mol
LogP6.19
Rot. Bonds6

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

5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine (PubChem CID 59240028) has the molecular formula C23H17ClF3N3O2 and a molecular weight of 459.86 g/mol. Its IUPAC name is 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine
PubChem CID59240028
Molecular FormulaC23H17ClF3N3O2
Molecular Weight459.86 g/mol
Exact Mass459.10
IUPAC Name5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine
SMILESCOc1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cn1
InChIInChI=1S/C23H17ClF3N3O2/c1-31-22-11-8-16(13-28-22)15-6-9-18(10-7-15)32-14-17-12-21(23(25,26)27)29-30(17)20-5-3-2-4-19(20)24/h2-13H,14H2,1H3
InChIKeyIQJMSMVIDJWSNT-UHFFFAOYSA-N
XLogP6.19
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.86
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
Jnj-42259152
CID 51353528
4-(Fluoromethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193704
4-(2-Fluoroethoxymethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193707
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
8-((3-chloropyridin-4-yl)methoxy)-2-methyl-4-(1-methyl-1H-pyrazol-5-yl)quinoline
CID 44190672
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
6-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile
CID 53465401
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine?
The IUPAC name of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine (CID 59240028) is 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine.
What is the SMILES notation for 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine?
The canonical SMILES for 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine is COc1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cn1.
What is the InChIKey of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine?
The InChIKey is IQJMSMVIDJWSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O2/c1-31-22-11-8-16(13-28-22)15-6-9-18(10-7-15)32-14-17-12-21(23(25,26)27)29-30(17)20-5-3-2-4-19(20)24/h2-13H,14H2,1H3.
What are the key properties of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine?
5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine has a molecular weight of 459.86 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-2-methoxypyridine is sourced from PubChem (CID 59240028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).